- InChI
- InChI=1S/C6H12O2/c1-3-5-8-6(7)4-2/h3-5H2,1-2H3
- InChI Key
- MCSINKKTEDDPNK-UHFFFAOYSA-N
- Formula
- C6H12O2
- SMILES
- CCCOC(=O)CC
- Molecular Weight1
- 116.16
- CAS
- 106-36-5
- Other Names
-
- NSC 72022
- PROPIONIC ACID N-PROPYL ESTER
- PROPYL PROPANOATE
- PROPYL PROPIONATE
- Propionic acid, propyl ester
- Propyl ester of propanoic acid
- Propylester kyseliny propionove
- methyl butyrate
- n-Propyl n-propanoate
- n-Propyl n-propionate
- n-Propyl propanoate
- n-Propyl propionate
- 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).
- μ : Dipole Moment (debye).
- η : Dynamic viscosity (Pa×s).
- ΔfG° : Standard Gibbs free energy of formation (kJ/mol).
- ΔfH°gas : 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 |
|---|---|---|---|
| ΔcH°liquid | -3545.00 | kJ/mol | NIST |
| μ | 1.80 | debye | KDB |
| ΔfG° | -234.28 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -411.97 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 14.08 | kJ/mol | Joback Calculated Property |
| ΔvapH° | [35.60; 43.48] | kJ/mol |
|
| ΔvapH° | 43.48 | kJ/mol | NIST |
| ΔvapH° | 35.60 ± 0.01 | kJ/mol | NIST |
| IE | 9.96 | eV | NIST |
| log10WS | [-0.82; -0.82] |
|
|
| log10WS | -0.82 | Aq. Sol... | |
| log10WS | -0.82 | Estimat... | |
| logPoct/wat | 1.350 | Crippen Calculated Property | |
| McVol | 102.840 | ml/mol | McGowan Calculated Property |
| Pc | [3020.00; 3060.00] | kPa |
|
| Pc | 3020.00 | kPa | KDB |
| Pc | 3060.00 ± 30.00 | kPa | NIST |
| Inp | [751.00; 814.00] |
|
|
| Inp | 792.60 | NIST | |
| Inp | 778.99 | NIST | |
| Inp | 800.00 | NIST | |
| Inp | 795.00 | NIST | |
| Inp | 785.00 | NIST | |
| Inp | 807.00 | NIST | |
| Inp | 794.00 | NIST | |
| Inp | 792.00 | NIST | |
| Inp | 792.00 | NIST | |
| Inp | Outlier 752.00 | NIST | |
| Inp | 759.00 | NIST | |
| Inp | Outlier 752.00 | NIST | |
| Inp | 789.00 | NIST | |
| Inp | 797.00 | NIST | |
| Inp | 792.00 | NIST | |
| Inp | 787.00 | NIST | |
| Inp | Outlier 751.00 | NIST | |
| Inp | Outlier 752.00 | NIST | |
| Inp | 796.00 | NIST | |
| Inp | 796.00 | NIST | |
| Inp | 789.00 | NIST | |
| Inp | 792.40 | NIST | |
| Inp | 814.00 | NIST | |
| Inp | 807.00 | NIST | |
| Inp | 809.00 | NIST | |
| Inp | 802.00 | NIST | |
| Inp | 811.00 | NIST | |
| Inp | 785.00 | NIST | |
| Inp | 814.00 | NIST | |
| Inp | 809.00 | NIST | |
| Inp | 807.00 | NIST | |
| Inp | 789.00 | NIST | |
| Inp | 801.00 | NIST | |
| Inp | 785.00 | NIST | |
| Inp | 810.00 | NIST | |
| Inp | 789.00 | NIST | |
| Inp | 793.00 | NIST | |
| Inp | 796.00 | NIST | |
| Inp | 792.40 | NIST | |
| I | [1008.00; 1080.00] |
|
|
| I | 1065.00 | NIST | |
| I | 1064.00 | NIST | |
| I | 1039.00 | NIST | |
| I | 1042.00 | NIST | |
| I | 1040.00 | NIST | |
| I | 1050.00 | NIST | |
| I | 1047.00 | NIST | |
| I | 1080.00 | NIST | |
| I | 1056.00 | NIST | |
| I | 1025.00 | NIST | |
| I | 1043.00 | NIST | |
| I | 1010.00 | NIST | |
| I | 1008.00 | NIST | |
| I | 1032.00 | NIST | |
| I | 1045.00 | NIST | |
| I | 1023.00 | NIST | |
| I | 1059.00 | NIST | |
| I | 1065.00 | NIST | |
| I | 1050.00 | NIST | |
| I | 1056.00 | NIST | |
| I | 1025.00 | NIST | |
| Tboil | [394.15; 397.90] | K |
|
| Tboil | 395.60 | K | KDB |
| Tboil | 395.51 | K | Vapor L... |
| Tboil | 395.70 | K | NIST |
| Tboil | 395.60 | K | NIST |
| Tboil | 396.35 ± 0.50 | K | NIST |
| Tboil | 396.15 ± 0.50 | K | NIST |
| Tboil | 395.60 ± 1.00 | K | NIST |
| Tboil | 395.30 ± 0.50 | K | NIST |
| Tboil | 395.80 ± 0.30 | K | NIST |
| Tboil | Outlier 394.15 ± 1.00 | K | NIST |
| Tboil | 396.60 ± 0.30 | K | NIST |
| Tboil | 395.80 ± 1.50 | K | NIST |
| Tboil | 395.65 ± 1.00 | K | NIST |
| Tboil | 395.59 ± 2.00 | K | NIST |
| Tboil | Outlier 397.90 ± 1.00 | K | NIST |
| Tc | [563.70; 578.00] | K |
|
| Tc | 578.00 | K | KDB |
| Tc | 571.00 ± 1.00 | K | NIST |
| Tc | 568.60 ± 0.60 | K | NIST |
| Tc | 578.00 | K | NIST |
| Tc | 563.70 ± 6.00 | K | NIST |
| Tc | 578.00 ± 8.00 | K | NIST |
| Tfus | [197.20; 197.30] | K |
|
| Tfus | 197.20 | K | KDB |
| Tfus | 197.20 | K | Aq. Sol... |
| Tfus | 197.30 ± 0.30 | K | NIST |
| Vc | 0.396 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [199.87; 254.27] | J/mol×K | [412.97; 590.55] |
|
|
T(K) Ideal gas heat capacity (J/mol×K) 200 210 220 230 240 250 450 500 550 | ||||
| Cp,gas | 199.87 | J/mol×K | 412.97 | Joback Calculated Property |
| Cp,gas | 209.71 | J/mol×K | 442.57 | Joback Calculated Property |
| Cp,gas | 219.25 | J/mol×K | 472.16 | Joback Calculated Property |
| Cp,gas | 228.47 | J/mol×K | 501.76 | Joback Calculated Property |
| Cp,gas | 237.38 | J/mol×K | 531.36 | Joback Calculated Property |
| Cp,gas | 245.98 | J/mol×K | 560.96 | Joback Calculated Property |
| Cp,gas | 254.27 | J/mol×K | 590.55 | Joback Calculated Property |
| Cp,liquid | [226.65; 229.00] | J/mol×K | [298.15; 298.38] |
|
| Cp,liquid | 226.65 | J/mol×K | 298.15 | NIST |
| Cp,liquid | 229.00 | J/mol×K | 298.38 | NIST |
| η | [0.0002729; 0.0030279] | Pa×s | [229.54; 412.97] |
|
|
T(K) Dynamic viscosity (Pa×s) 0 5.00e-4 1.00e-3 1.50e-3 2.00e-3 2.50e-3 3.00e-3 250 300 350 400 | ||||
| η | 0.0030279 | Pa×s | 229.54 | Joback Calculated Property |
| η | 0.0016017 | Pa×s | 260.11 | Joback Calculated Property |
| η | 0.0009687 | Pa×s | 290.68 | Joback Calculated Property |
| η | 0.0006447 | Pa×s | 321.25 | Joback Calculated Property |
| η | 0.0004605 | Pa×s | 351.83 | Joback Calculated Property |
| η | 0.0003472 | Pa×s | 382.40 | Joback Calculated Property |
| η | 0.0002729 | Pa×s | 412.97 | Joback Calculated Property |
| ΔvapH | [35.54; 43.10] | kJ/mol | [313.00; 395.60] |
|
|
T(K) Enthalpy of vaporization at a given temperature (kJ/mol) 36 38 40 42 320 340 360 380 | ||||
| ΔvapH | 42.10 ± 0.10 | kJ/mol | 313.00 | NIST |
| ΔvapH | 43.10 | kJ/mol | 327.50 | NIST |
| ΔvapH | 41.10 ± 0.10 | kJ/mol | 328.00 | NIST |
| ΔvapH | 40.00 ± 0.10 | kJ/mol | 343.00 | NIST |
| ΔvapH | 38.80 ± 0.10 | kJ/mol | 358.00 | NIST |
| ΔvapH | 39.90 | kJ/mol | 365.00 | NIST |
| ΔvapH | 37.60 | kJ/mol | 392.00 | NIST |
| ΔvapH | 35.54 | kJ/mol | 395.60 | NIST |
| Pvap | [33.58; 101.30] | kPa | [361.75; 395.51] |
|
|
T(K) Vapor pressure (kPa) 30 40 50 60 70 80 90 100 370 380 390 | ||||
| Pvap | 33.58 | kPa | 361.75 | Vapor L... |
| Pvap | 40.92 | kPa | 367.30 | Vapor L... |
| Pvap | 47.90 | kPa | 371.88 | Vapor L... |
| Pvap | 51.21 | kPa | 373.82 | Vapor L... |
| Pvap | 60.00 | kPa | 378.75 | Vapor L... |
| Pvap | 60.83 | kPa | 379.07 | Vapor L... |
| Pvap | 70.32 | kPa | 383.56 | Vapor L... |
| Pvap | 77.90 | kPa | 386.81 | Vapor L... |
| Pvap | 86.38 | kPa | 390.13 | Vapor L... |
| Pvap | 93.37 | kPa | 392.74 | Vapor L... |
| Pvap | 101.30 | kPa | 395.51 | Vapor L... |
| n0 | [1.38090; 1.39060] | [298.15; 318.15] |
|
|
| n0 | 1.39060 | 298.15 | Physica... | |
| n0 | 1.39050 | 298.15 | Densiti... | |
| n0 | 1.38820 | 303.15 | Correla... | |
| n0 | 1.38090 | 318.15 | Thermod... | |
| ρl | [875.53; 881.62] | kg/m3 | [293.00; 298.15] |
|
|
T(K) Liquid Density (kg/m3) 875 876 877 878 879 880 881 882 294 296 298 | ||||
| ρl | 881.00 | kg/m3 | 293.00 | KDB |
| ρl | 875.53 | kg/m3 | 298.10 | Excess ... |
| ρl | 875.61 | kg/m3 | 298.15 | Thermod... |
| ρl | 881.62 | kg/m3 | 298.15 | Phase E... |
| ρl | 875.53 | kg/m3 | 298.15 | Surface... |
| γ | 0.02 | N/m | 298.15 | Experim... |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Pvap | [1.33; 202.66] | kPa | [294.42; 420.70] |
The Yaw...
|
| Equation | ln(Pvp) = A + B/(T + C) | |||
| Coefficient A | 1.49902e+01 | |||
| Coefficient B | -3.57685e+03 | |||
| Coefficient C | -5.11410e+01 | |||
| Temperature range, min. | 294.42 | |||
| Temperature range, max. | 420.70 | |||
|
T(K) Vapor pressure (kPa) 0 50 100 150 200 300 350 400 | ||||
| Pvap | 1.33 | kPa | 294.42 | Calculated Property |
| Pvap | 2.97 | kPa | 308.45 | Calculated Property |
| Pvap | 6.10 | kPa | 322.48 | Calculated Property |
| Pvap | 11.66 | kPa | 336.51 | Calculated Property |
| Pvap | 20.98 | kPa | 350.54 | Calculated Property |
| Pvap | 35.82 | kPa | 364.58 | Calculated Property |
| Pvap | 58.41 | kPa | 378.61 | Calculated Property |
| Pvap | 91.49 | kPa | 392.64 | Calculated Property |
| Pvap | 138.32 | kPa | 406.67 | Calculated Property |
| Pvap | 202.66 | kPa | 420.70 | Calculated Property |
| Pvap | [1.83e-04; 3021.65] | kPa | [197.25; 578.00] |
KDB Vap...
|
| Equation | ln(Pvp) = A + B/T + C*ln(T) + D*T^2 | |||
| Coefficient A | 6.22076e+01 | |||
| Coefficient B | -6.89668e+03 | |||
| Coefficient C | -6.80611e+00 | |||
| Coefficient D | 3.05862e-06 | |||
| Temperature range, min. | 197.25 | |||
| Temperature range, max. | 578.00 | |||
|
T(K) Vapor pressure (kPa) 0 500 1000 1500 2000 2500 3000 200 300 400 500 | ||||
| Pvap | 1.83e-04 | kPa | 197.25 | Calculated Property |
| Pvap | 0.02 | kPa | 239.56 | Calculated Property |
| Pvap | 0.66 | kPa | 281.86 | Calculated Property |
| Pvap | 6.73 | kPa | 324.17 | Calculated Property |
| Pvap | 37.21 | kPa | 366.47 | Calculated Property |
| Pvap | 137.14 | kPa | 408.78 | Calculated Property |
| Pvap | 381.57 | kPa | 451.08 | Calculated Property |
| Pvap | 868.98 | kPa | 493.39 | Calculated Property |
| Pvap | 1710.39 | kPa | 535.69 | Calculated Property |
| Pvap | 3021.65 | kPa | 578.00 | Calculated Property |
Similar Compounds
Find more compounds similar to Propanoic acid, propyl ester.
Mixtures
- Propanoic acid, propyl ester + o-Xylene
- Propanoic acid, propyl ester + Benzene, 1,3-dimethyl-
- Propanoic acid, propyl ester + p-Xylene
- Propanoic acid, propyl ester + Heptane
- Propanoic acid, propyl ester + Nonane
- Propanoic acid, propyl ester + Undecane
- Propanoic acid, propyl ester + Tridecane
- Propanoic acid, propyl ester + Pentadecane
- Heptadecane + Propanoic acid, propyl ester
- Toluene + Propanoic acid, propyl ester
- n-Hexane + Toluene + Propanoic acid, propyl ester
- Propanoic acid, propyl ester + Ethane, 1,2-dichloro-
- Propanoic acid, propyl ester + Propane, 1,3-dichloro-
- Propanoic acid, propyl ester + Butane, 1,4-dichloro-
- Propanoic acid, propyl ester + Pentane, 1,5-dichloro-
- Propanoic acid, propyl ester + Hexane, 1,6-dichloro-
- Propanoic acid, propyl ester + Octane
- Propanoic acid, propyl ester + 1-Hexanol
- Benzene + Propanoic acid, propyl ester + 1-Hexanol
- n-Hexane + Propanoic acid, propyl ester + Benzene, 1,3-dimethyl-
Find more mixtures with Propanoic acid, propyl ester.
Sources
- KDB Vapor Pressure Data
- Crippen Method
- Experimental and theoretical surface tension deviations in the binary systems propyl propanoate + o-, m- and p-xylene at 298.15K
- Experimental determination and calculation of the critical curves for the binary systems of CO2 containing ketone, alkane, ester and alcohol, respectively
- Liquid-liquid equilibrium for the quaternary system propionic acid + n-propanol + n-propyl propionate + water at 293.15, 313.15 and 333.15 K
- Thermodynamic properties of (an ester + and alkane). XVII. Experimental He and Ve values for (an alkyl propanoate + an alkane) at 318.15K
- Physical properties of (propyl propanoate + hexane + toluene) at 298.15 K
- Thermodynamic study of (alkyl esters + a,x-alkyl dihalides) VII. HE m and VE m for 20 binary mixtures {xCu 1H2u 1CO2C3H7 + (1 x)a,x-ClCH2(CH2)v 2CH2Cl}, where u = 1 to 4, a = 1 and v = x = 2 to 6. An analysis of behavior using the COSMO-RS methodology
- Liquid-liquid equilibrium of alcohol-ester systems with deep eutectic solvent on the base of choline chloride
- Vapor Liquid Equilibria Measurements for the Five Linear C6 Esters with n-Octane
- Excess Molar Enthalpies of Propyl Propanoate + 1-Hexanol + Benzene at the Temperatures of 25 :C and 35 :C
- Densities, Surface Tensions, and Refractive Indexes of Propyl Propanoate + Hexane + m-Xylene at 298.15 K
- Correlation and Prediction of Excess Quantities and Vapor-Liquid Equilibria of Alkyl Esters + tert-Butyl Alcohol: Experimental Data for Propyl Esters + tert-Butyl Alcohol
- Phase Equilibria for Reactive Distillation of Propyl Propanoate. Pure Component Property Data, Vapor-Liquid Equilibria, and Liquid-Liquid Equilibria
- Vapor-Liquid Equilibrium Data of (Carbon Dioxide + Methyl Propionate) and (Carbon Dioxide + Propyl Propionate) at Pressures from (1.00 to 12.00) MPa and Temperatures from (313.0 to 373.0) K
- Surface Tension Deviations and Excess Molar Volumes on the Ternary System Propyl Propanoate + Hexane + p-Xylene at 298.15 K
- Joback Method
- KDB
- Aqueous Solubility Prediction Method
- Estimated Solubility Method
- McGowan Method
- NIST Webbook
- The Yaws Handbook of Vapor Pressure
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