- InChI
- InChI=1S/C5H10O2/c1-4(2)7-5(3)6/h4H,1-3H3
- InChI Key
- JMMWKPVZQRWMSS-UHFFFAOYSA-N
- Formula
- C5H10O2
- SMILES
- CC(=O)OC(C)C
- Molecular Weight1
- 102.13
- CAS
- 108-21-4
- Other Names
-
- 1-Methylethyl acetate
- 1-methylethyl ethanoate
- 2-Acetoxypropane
- 2-Propyl acetate
- Acetate d'isopropyle
- Acetic acid, 1-methylethyl ester
- Acetic acid, 2-propyl ester
- Acetic acid, isopropyl ester
- CH3COOCH(CH3)2
- Isopropile(acetato di)
- Isopropyl (acetate d')
- Isopropyl ester of acetic acid
- Isopropyl ethanoate
- Isopropylacetaat
- Isopropylacetat
- Isopropylester kyseliny octove
- NSC 9295
- UN 1220
- ethanoic acid, isopropyl ester
- sec-Propyl acetate
- PAff : Proton affinity (kJ/mol).
- BasG : Gas basicity (kJ/mol).
- ΔcH°liquid : Standard liquid enthalpy of combustion (kJ/mol).
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- Cp,liquid : Liquid phase heat capacity (J/mol×K).
- η : Dynamic viscosity (Pa×s).
- ΔfG° : Standard Gibbs free energy of formation (kJ/mol).
- ΔfH°gas : Enthalpy of formation at standard conditions (kJ/mol).
- ΔfH°liquid : Liquid phase enthalpy of formation at standard conditions (kJ/mol).
- ΔfusH° : Enthalpy of fusion at standard conditions (kJ/mol).
- ΔvapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
- ΔvapH : Enthalpy of vaporization at a given temperature (kJ/mol).
- IE : Ionization energy (eV).
- log10WS : Log10 of Water solubility in mol/l.
- logPoct/wat : Octanol/Water partition coefficient.
- McVol : McGowan's characteristic volume (ml/mol).
- Pc : Critical Pressure (kPa).
- Pvap : Vapor pressure (kPa).
- n0 : Refractive Index.
- ρl : Liquid Density (kg/m3).
- Inp : Non-polar retention indices.
- I : Polar retention indices.
- γ : Surface Tension (N/m).
- Tboil : Normal Boiling Point Temperature (K).
- Tc : Critical Temperature (K).
- Tfus : Normal melting (fusion) point (K).
- Vc : Critical Volume (m3/kmol).
- 1: Molecular weight from the IUPAC atomic weights tables.
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Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| PAff | 836.60 | kJ/mol | NIST |
| BasG | 805.60 | kJ/mol | NIST |
| ΔcH°liquid | [-2879.00; -2869.80] | kJ/mol |
|
| ΔcH°liquid | -2869.80 ± 4.10 | kJ/mol | NIST |
| ΔcH°liquid | -2879.00 | kJ/mol | NIST |
| ΔfG° | -245.14 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -489.70 ± 3.70 | kJ/mol | NIST |
| ΔfH°liquid | -526.90 ± 3.70 | kJ/mol | NIST |
| ΔfusH° | 7.97 | kJ/mol | Joback Calculated Property |
| ΔvapH° | [33.00; 37.20] | kJ/mol |
|
| ΔvapH° | 37.00 | kJ/mol | NIST |
| ΔvapH° | 37.20 ± 0.20 | kJ/mol | NIST |
| ΔvapH° | 37.20 ± 0.20 | kJ/mol | NIST |
| ΔvapH° | 33.00 | kJ/mol | NIST |
| IE | [9.95; 10.08] | eV |
|
| IE | 9.99 ± 0.03 | eV | NIST |
| IE | 9.95 ± 0.05 | eV | NIST |
| IE | 10.08 | eV | NIST |
| IE | 9.99 ± 0.03 | eV | NIST |
| log10WS | [-0.55; -0.55] |
|
|
| log10WS | -0.55 | Aq. Sol... | |
| log10WS | -0.55 | Estimat... | |
| logPoct/wat | 0.958 | Crippen Calculated Property | |
| McVol | 88.750 | ml/mol | McGowan Calculated Property |
| Pc | 3290.00 ± 20.00 | kPa | NIST |
| Inp | [595.00; 662.00] |
|
|
| Inp | 640.00 | NIST | |
| Inp | 646.00 | NIST | |
| Inp | 646.80 | NIST | |
| Inp | Outlier 596.00 | NIST | |
| Inp | 643.00 | NIST | |
| Inp | Outlier 596.00 | NIST | |
| Inp | 610.00 | NIST | |
| Inp | 625.00 | NIST | |
| Inp | Outlier 596.00 | NIST | |
| Inp | 643.00 | NIST | |
| Inp | 657.00 | NIST | |
| Inp | 657.10 | NIST | |
| Inp | 639.00 | NIST | |
| Inp | 639.00 | NIST | |
| Inp | 648.00 | NIST | |
| Inp | 655.00 | NIST | |
| Inp | 648.00 | NIST | |
| Inp | 653.00 | NIST | |
| Inp | 651.00 | NIST | |
| Inp | 655.00 | NIST | |
| Inp | Outlier 595.00 | NIST | |
| Inp | 611.00 | NIST | |
| Inp | 662.00 | NIST | |
| Inp | 643.00 | NIST | |
| Inp | 650.00 | NIST | |
| Inp | 641.00 | NIST | |
| Inp | 645.00 | NIST | |
| Inp | 652.00 | NIST | |
| Inp | 648.00 | NIST | |
| Inp | 643.00 | NIST | |
| Inp | 643.00 | NIST | |
| Inp | 645.00 | NIST | |
| Inp | 650.00 | NIST | |
| Inp | 650.00 | NIST | |
| Inp | 648.00 | NIST | |
| Inp | 638.00 | NIST | |
| Inp | 644.00 | NIST | |
| Inp | 650.00 | NIST | |
| Inp | 648.00 | NIST | |
| I | [851.00; 938.00] |
|
|
| I | 911.00 | NIST | |
| I | 882.00 | NIST | |
| I | 912.00 | NIST | |
| I | 899.00 | NIST | |
| I | Outlier 938.00 | NIST | |
| I | 913.00 | NIST | |
| I | 909.40 | NIST | |
| I | Outlier 851.00 | NIST | |
| I | 878.00 | NIST | |
| I | 878.00 | NIST | |
| I | 866.00 | NIST | |
| I | 904.00 | NIST | |
| I | 915.00 | NIST | |
| I | 915.00 | NIST | |
| I | 890.00 | NIST | |
| I | 901.00 | NIST | |
| I | 883.00 | NIST | |
| I | 882.00 | NIST | |
| I | 883.00 | NIST | |
| I | 866.00 | NIST | |
| I | 896.00 | NIST | |
| Tboil | [361.45; 361.80] | K |
|
| Tboil | 361.45 | K | Physica... |
| Tboil | 361.65 | K | Isobari... |
| Tboil | 361.80 | K | Experim... |
| Tboil | 361.45 | K | Vapor L... |
| Tboil | 361.79 | K | Investi... |
| Tboil | 361.79 | K | Study o... |
| Tc | [531.00; 532.00] | K |
|
| Tc | 532.00 ± 0.60 | K | NIST |
| Tc | 531.00 ± 0.05 | K | NIST |
| Tfus | [199.95; 346.60] | K |
|
| Tfus | 199.95 | K | Aq. Sol... |
| Tfus | 203.85 | K | NIST |
| Tfus | 241.85 ± 0.50 | K | NIST |
| Tfus | 346.60 ± 0.50 | K | NIST |
| Vc | 0.334 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [154.31; 168.95] | J/mol×K | [361.35; 411.00] |
|
| Cp,gas | 154.31 ± 0.23 | J/mol×K | 361.35 | NIST |
| Cp,gas | 158.99 ± 0.24 | J/mol×K | 376.91 | NIST |
| Cp,gas | 163.59 ± 0.25 | J/mol×K | 392.36 | NIST |
| Cp,gas | 168.95 ± 0.25 | J/mol×K | 411.00 | NIST |
| Cp,liquid | 196.60 | J/mol×K | 298.15 | NIST |
| η | [0.0002653; 0.0043372] | Pa×s | [203.27; 389.65] |
|
|
T(K) Dynamic viscosity (Pa×s) 0 1.00e-3 2.00e-3 3.00e-3 4.00e-3 200 250 300 350 | ||||
| η | 0.0043372 | Pa×s | 203.27 | Joback Calculated Property |
| η | 0.0019995 | Pa×s | 234.33 | Joback Calculated Property |
| η | 0.0011050 | Pa×s | 265.40 | Joback Calculated Property |
| η | 0.0006915 | Pa×s | 296.46 | Joback Calculated Property |
| η | 0.0004730 | Pa×s | 327.52 | Joback Calculated Property |
| η | 0.0003455 | Pa×s | 358.59 | Joback Calculated Property |
| η | 0.0002653 | Pa×s | 389.65 | Joback Calculated Property |
| ΔvapH | [35.60; 38.80] | kJ/mol | [298.50; 323.00] |
|
| ΔvapH | 38.80 | kJ/mol | 298.50 | NIST |
| ΔvapH | 36.30 | kJ/mol | 318.00 | NIST |
| ΔvapH | 35.60 | kJ/mol | 323.00 | NIST |
| Pvap | [10.57; 939.90] | kPa | [304.07; 453.15] |
|
|
T(K) Vapor pressure (kPa) 0 200 400 600 800 1000 350 400 450 | ||||
| Pvap | 10.57 | kPa | 304.07 | Investi... |
| Pvap | 11.58 | kPa | 306.28 | Investi... |
| Pvap | 13.35 | kPa | 308.95 | Investi... |
| Pvap | 15.79 | kPa | 312.53 | Investi... |
| Pvap | 19.00 | kPa | 316.52 | Investi... |
| Pvap | 20.00 | kPa | 317.77 | Study o... |
| Pvap | 20.00 | kPa | 317.77 | Investi... |
| Pvap | 22.45 | kPa | 320.42 | Investi... |
| Pvap | 25.60 | kPa | 323.45 | Investi... |
| Pvap | 28.24 | kPa | 325.91 | Investi... |
| Pvap | 31.94 | kPa | 328.97 | Investi... |
| Pvap | 36.19 | kPa | 332.14 | Investi... |
| Pvap | 37.73 | kPa | 333.15 | Vapor-L... |
| Pvap | 39.98 | kPa | 334.75 | Investi... |
| Pvap | 40.00 | kPa | 334.75 | Investi... |
| Pvap | 40.00 | kPa | 334.75 | Study o... |
| Pvap | 44.85 | kPa | 337.73 | Investi... |
| Pvap | 50.51 | kPa | 340.95 | Investi... |
| Pvap | 56.66 | kPa | 344.18 | Investi... |
| Pvap | 60.03 | kPa | 345.94 | Investi... |
| Pvap | 60.00 | kPa | 345.94 | Study o... |
| Pvap | 60.00 | kPa | 345.94 | Investi... |
| Pvap | 65.32 | kPa | 348.17 | Investi... |
| Pvap | 70.47 | kPa | 350.35 | Investi... |
| Pvap | 75.52 | kPa | 352.47 | Investi... |
| Pvap | 79.97 | kPa | 354.29 | Investi... |
| Pvap | 80.00 | kPa | 354.29 | Investi... |
| Pvap | 80.00 | kPa | 354.29 | Study o... |
| Pvap | 85.89 | kPa | 356.48 | Investi... |
| Pvap | 90.50 | kPa | 358.20 | Investi... |
| Pvap | 95.13 | kPa | 359.77 | Investi... |
| Pvap | 100.54 | kPa | 361.41 | Vapor-L... |
| Pvap | 101.30 | kPa | 361.45 | Vapor L... |
| Pvap | 101.26 | kPa | 361.79 | Investi... |
| Pvap | 101.30 | kPa | 361.79 | Study o... |
| Pvap | 101.30 | kPa | 361.79 | Investi... |
| Pvap | 101.00 | kPa | 361.80 | Experim... |
| Pvap | 125.86 | kPa | 368.80 | Vapor-L... |
| Pvap | 151.03 | kPa | 375.00 | Vapor-L... |
| Pvap | 176.20 | kPa | 380.40 | Vapor-L... |
| Pvap | 201.37 | kPa | 385.39 | Vapor-L... |
| Pvap | 226.54 | kPa | 389.89 | Vapor-L... |
| Pvap | 249.59 | kPa | 393.15 | Vapor-L... |
| Pvap | 251.71 | kPa | 393.99 | Vapor-L... |
| Pvap | 939.90 | kPa | 453.15 | Vapor-L... |
| n0 | [1.37010; 1.37790] | [293.15; 303.15] |
|
|
|
T(K) Refractive Index 1.37 1.37 1.37 1.38 1.38 295 300 | ||||
| n0 | 1.37510 | 293.15 | Vapor l... | |
| n0 | 1.37720 | 293.15 | Isobari... | |
| n0 | 1.37790 | 293.15 | Liquid-... | |
| n0 | 1.37710 | 293.15 | Liquid ... | |
| n0 | 1.37480 | 298.15 | Vapor-L... | |
| n0 | 1.37739 | 298.15 | Isobari... | |
| n0 | 1.37480 | 298.15 | Isobari... | |
| n0 | 1.37010 | 303.15 | Liquid-... | |
| ρl | 867.60 | kg/m3 | 298.15 | Determi... |
| γ | [0.02; 0.02] | N/m | [298.15; 313.15] |
|
| γ | 0.02 | N/m | 298.15 | Excess ... |
| γ | 0.02 | N/m | 308.15 | Excess ... |
| γ | 0.02 | N/m | 313.15 | Excess ... |
Datasets
Mass density, kg/m3
| Fixed | Measured | |
|---|---|---|
| Temperature, K - Liquid | Pressure, kPa - Liquid | Mass density, kg/m3 - Liquid |
| 298.15 | 100.00 | 866.5 |
| Reference | ||
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Pvap | [3.85e-03; 3571.95] | kPa | [199.75; 538.00] |
KDB Vap...
|
| Equation | ln(Pvp) = A + B/T + C*ln(T) + D*T^2 | |||
| Coefficient A | 4.79142e+01 | |||
| Coefficient B | -5.71639e+03 | |||
| Coefficient C | -4.70480e+00 | |||
| Coefficient D | 1.64122e-06 | |||
| Temperature range, min. | 199.75 | |||
| Temperature range, max. | 538.00 | |||
|
T(K) Vapor pressure (kPa) 0 500 1000 1500 2000 2500 3000 3500 200 300 400 500 | ||||
| Pvap | 3.85e-03 | kPa | 199.75 | Calculated Property |
| Pvap | 0.16 | kPa | 237.33 | Calculated Property |
| Pvap | 2.27 | kPa | 274.92 | Calculated Property |
| Pvap | 15.72 | kPa | 312.50 | Calculated Property |
| Pvap | 68.39 | kPa | 350.08 | Calculated Property |
| Pvap | 215.71 | kPa | 387.67 | Calculated Property |
| Pvap | 540.20 | kPa | 425.25 | Calculated Property |
| Pvap | 1141.19 | kPa | 462.83 | Calculated Property |
| Pvap | 2120.75 | kPa | 500.42 | Calculated Property |
| Pvap | 3571.95 | kPa | 538.00 | Calculated Property |
Similar Compounds
Find more compounds similar to Isopropyl acetate.
Mixtures
- Decane + Isopropyl acetate
- Dodecane + Isopropyl acetate
- Heptane + Isopropyl acetate
- n-Hexane + Isopropyl acetate
- Carbon dioxide + Isopropyl acetate
- Isopropyl acetate + Simvastatin
- Isopropyl Alcohol + Isopropyl acetate
- Isopropyl acetate + Acetic acid, methyl ester
- Isopropyl Alcohol + Isopropyl acetate + Water
- 2-Propanone, 1-hydroxy- + Isopropyl acetate + Water
- Furfural + Isopropyl acetate + Water
- Phenol, 2-methoxy- + Isopropyl acetate + Water
- Isopropyl acetate + Methyl Alcohol + Water
- Isopropyl acetate + Phenol + Water
- Propanal + Isopropyl acetate + Water
- Furaneol + Isopropyl acetate
- Isopropyl acetate + 2,2,3,3-Tetrafluoro-1-propanol + Water
- Isopropyl acetate + Water
- 1-Propanol + Isopropyl acetate
- 1-Butanol + Isopropyl acetate
Find more mixtures with Isopropyl acetate.
Sources
- KDB Vapor Pressure Data
- Crippen Method
- Activity coefficient at infinite dilution, azeotropic data, excess enthalpies and solid liquid-equilibria for binary systems of alkanes and aromatics with esters
- Vapor liquid equilibria of carbon dioxide with isopropyl acetate, diethyl carbonate and ethyl butyrate at elevated pressures
- Solubility and limiting activity coefficient of simvastatin in different organic solvents
- Investigation on isobaric vapor liquid equilibrium for acetic acid +water +methyl ethyl ketone + isopropyl acetate
- Physical properties and phase equilibria of the system isopropyl acetate + isopropanol + 1-octyl-3-methyl-imidazolium bis(trifluoromethylsulfonyl)imide
- Isobaric vapour liquid equilibria and physical properties for isopropyl acetate + isopropanol + 1-butyl-3-methyl-imidazolium bis(trifluoromethylsulfonyl)imide mixtures
- Isobaric vapor-liquid equilibrium data for the binary system methyl acetate + isopropyl acetate and the quaternary system methyl acetate + methanol + isopropanol + isopropyl acetate at 101.3 kPa
- Measurement and correlation of solubility of D-camphor-10-sulfonic acid in pure solvents
- Liquid-liquid equilibrium for the ternary system of isopropyl acetate + 2-propanol + glycerol at different temperatures under atmospheric pressure
- Experimental studies and thermodynamic analysis of isobaric vapor-liquid-liquid equilibria of 2-propanol + water system using n-propyl acetate and isopropyl acetate as entrainers
- Liquid-liquid equilibria of water + solutes (acetic acid/ acetol/furfural/guaiacol/methanol/phenol/propanal) + solvents (isopropyl acetate/toluene) ternary systems for pyrolysis oil fractionation
- Separation of isopropyl acetate + isopropanol azeotropic mixture using ionic liquids with acetate anion as entrainers
- Thermodynamic equilibrium of 4-hydroxy-2,5-dimethyl-3(2H)-furanone in different solvent systems
- Liquid-liquid equilibrium for ternary systems of ethyl acetate/isopropyl acetate + 2,2,3,3-tetrafluoro-1-propanol + water at 298.15, 318.15 K
- Measurement and thermodynamic modelling of ternary liquid-liquid equilibrium for extraction of thioglycolic acid from aqueous solution with different solvents
- Vapor-Liquid Equilibrium of Binary Mixtures Containing Isopropyl Acetate and Alkanols at 101.32 kPa
- Solubility of Benzoic Acid and Aspirin in Pure Solvents Using Focused Beam Reflective Measurement
- Vapor Liquid Equilibria for Ternary Mixtures of Isopropyl Alcohol, Isopropyl Acetate, and DMSO at 101.3 kPa
- Measurement and Correlation of Solubility on Reactive Crystallization of Methyl D-(-)-4-Hydroxy-phenylglycinate
- Liquid Liquid Equilibrium for the Ternary System Isopropyl Acetate + Ethanol + Water at (293.15, 313.15, and 333.15) K
- Measurement and Thermodynamic Modeling of Ternary (Liquid + Liquid) Equilibrium for Extraction of N,N-Dimethylacetamide from Aqueous Solution with Different Solvents
- Vapor-Liquid Equilibrium Data for Binary Mixtures of Dimethyl Carbonate with Methyl Acetate, Ethyl Acetate, n-Propyl Acetate, Isopropyl Acetate, n-Butyl Acetate, and Isoamyl Acetate at 93.13 kPa
- Investigation on Isobaric Vapor-Liquid Equilibria of the Isopropyl Acetate + Water + Ethanol System
- Isobaric Vapor-Liquid Equilibrium Data for Binary Systems of Anisole with Methyl Acetate, Ethyl Acetate, n-Propyl Acetate, and Isopropyl Acetate at 93.9 kPa
- Liquid-Liquid Equilibrium Data for the Systems n-Propyl Acetate or Isopropyl Acetate + n-Propanol or Isopropyl Alcohol + IL at 298.15 and 318.15 K and Atmospheric Pressure
- Determination and Correlation of Liquid-Liquid Equilibria Data for Ternary System Isopropyl Acetate + Isopropanol + Water at Different Temperatures
- Study of Vapor-Liquid Equilibria for Acetic Acid + n-Propyl Acetate + Isopropyl Acetate Systems
- Isobaric Vapor-Liquid Equilibria of Binary Mixtures of Diethyl Carbonate with Isopropyl Acetate, sec-Butyl Acetate, or Isoamyl Acetate at 101.3 kPa
- Solubility and Liquid-Liquid Equilibria for the Isopropyl Acetate + Isopropanol + Acetic Acid + Water Quaternary System at 313.15 K and 101.3 kPa
- Solubility and Thermodynamic Modeling of Dimethyl Terephthalate in Pure Solvents and the Evaluation of the Mixing Properties of the Solutions
- Isobaric Vapor-Liquid Equilibria for Water + Acetic Acid + (n-Pentyl Acetate or Isopropyl Acetate)
- Vapor-Liquid Equilibria on Seven Binary Systems: Ethylene Oxide + 2-Methylpropane; Acetophenone + Phenol; cis-1,3-Dichloropropene + 1,2-Dichloropropane; 1,5-Hexadiene + Allyl Chloride; Isopropyl Acetate + Acetonitrile; Vinyl Chloride + Methyl Chloride; and 1,4-Butanediol + c-Butyrolactone
- Vapor-Liquid Equilibrium for Carbon Dioxide + Isopropyl, Isobutyl, and Isoamyl Acetates
- Solubility of Artemisinin in Different Single and Binary Solvent Mixtures Between (284.15 and 323.15) K and NRTL Interaction Parameters
- Isobaric Vapor Liquid Equilibrium for the Binary System of Hexamethyl Disiloxane + Isopropyl Acetate at Atmospheric Pressure
- Excess Molar Volumes and Surface Tensions of 1,2,4-Trimethylbenzene and 1,3,5-Trimethylbenzene with Isopropyl Acetate and Isobutyl Acetate at (298.15, 308.15, and 313.15) K
- Solubility of Lovastatin in Ethyl Acetate, Propyl Acetate, Isopropyl Acetate, Butyl Acetate, sec-Butyl Acetate, Isobutyl Acetate, tert-Butyl Acetate, and 2-Butanone, between (285 and 313) K
- Joback Method
- Aqueous Solubility Prediction Method
- Estimated Solubility Method
- McGowan Method
- NIST Webbook
Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more.
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