- InChI
- InChI=1S/C5H10O2/c1-5(2)3-7-4-6/h4-5H,3H2,1-2H3
- InChI Key
- AVMSWPWPYJVYKY-UHFFFAOYSA-N
- Formula
- C5H10O2
- SMILES
- CC(C)COC=O
- Molecular Weight1
- 102.13
- CAS
- 542-55-2
- Other Names
-
- 2-Methyl-1-propyl formate
- 2-Methylpropyl formate
- 2-methylpropyl methanoate
- Formic acid, isobutyl ester
- Isobutyl formate
- Isobutyl methanoate
- Isobutylester kyseliny mravenci
- NSC 6968
- Tetryl formate
- UN 2393
- methanoic acid, 2-methylpropyl ester
- ω : Acentric Factor.
- 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).
- ρc : Critical density (kg/m3).
- ρl : Liquid Density (kg/m3).
- Inp : Non-polar retention indices.
- I : Polar retention indices.
- Tboil : Normal Boiling Point Temperature (K).
- Tc : Critical Temperature (K).
- Tfus : Normal melting (fusion) point (K).
- Vc : Critical Volume (m3/kmol).
- Zc : Critical Compressibility.
- 1: Molecular weight from the IUPAC atomic weights tables.
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Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| ω | 0.3960 | KDB | |
| μ | 1.90 | debye | KDB |
| ΔfG° | -215.74 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -369.61 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 8.66 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 33.60 ± 0.04 | kJ/mol | NIST |
| IE | 10.46 ± 0.02 | eV | NIST |
| log10WS | [-1.01; -1.01] |
|
|
| log10WS | -1.01 | Aq. Sol... | |
| log10WS | -1.01 | Estimat... | |
| logPoct/wat | 0.815 | Crippen Calculated Property | |
| McVol | 88.750 | ml/mol | McGowan Calculated Property |
| Pc | [3880.00; 3880.00] | kPa |
|
| Pc | 3880.00 | kPa | KDB |
| Pc | 3880.00 ± 303.98 | kPa | NIST |
| ρc | 287.91 ± 5.11 | kg/m3 | NIST |
| Inp | [639.00; 673.00] |
|
|
| Inp | 642.00 | NIST | |
| Inp | 648.00 | NIST | |
| Inp | 670.00 | NIST | |
| Inp | 660.00 | NIST | |
| Inp | 642.00 | NIST | |
| Inp | 639.00 | NIST | |
| Inp | 670.00 | NIST | |
| Inp | 670.00 | NIST | |
| Inp | 673.00 | NIST | |
| Inp | 670.00 | NIST | |
| I | [955.00; 955.00] |
|
|
| I | 955.00 | NIST | |
| I | 955.00 | NIST | |
| Tboil | [369.75; 371.65] | K |
|
| Tboil | 371.40 | K | KDB |
| Tboil | 371.60 | K | NIST |
| Tboil | 371.45 ± 0.30 | K | NIST |
| Tboil | 370.40 ± 1.00 | K | NIST |
| Tboil | 371.10 ± 0.50 | K | NIST |
| Tboil | 371.10 ± 0.50 | K | NIST |
| Tboil | 371.55 ± 0.50 | K | NIST |
| Tboil | 371.60 ± 0.40 | K | NIST |
| Tboil | 371.05 ± 1.00 | K | NIST |
| Tboil | 371.25 ± 1.00 | K | NIST |
| Tboil | Outlier 369.75 ± 1.00 | K | NIST |
| Tboil | 370.90 ± 0.50 | K | NIST |
| Tboil | 370.00 ± 3.00 | K | NIST |
| Tboil | 371.65 ± 1.00 | K | NIST |
| Tc | [551.00; 551.40] | K |
|
| Tc | 551.00 | K | KDB |
| Tc | 551.40 ± 4.00 | K | NIST |
| Tfus | [177.30; 177.90] | K |
|
| Tfus | 177.35 | K | Aq. Sol... |
| Tfus | 177.30 | K | KDB |
| Tfus | 177.90 ± 0.40 | K | NIST |
| Vc | 0.352 | m3/kmol | KDB |
| Zc | 0.2981170 | KDB |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [165.58; 212.38] | J/mol×K | [384.44; 561.97] |
|
| Cp,gas | 165.58 | J/mol×K | 384.44 | Joback Calculated Property |
| Cp,gas | 174.02 | J/mol×K | 414.03 | Joback Calculated Property |
| Cp,gas | 182.20 | J/mol×K | 443.62 | Joback Calculated Property |
| Cp,gas | 190.13 | J/mol×K | 473.21 | Joback Calculated Property |
| Cp,gas | 197.81 | J/mol×K | 502.79 | Joback Calculated Property |
| Cp,gas | 205.22 | J/mol×K | 532.38 | Joback Calculated Property |
| Cp,gas | 212.38 | J/mol×K | 561.97 | Joback Calculated Property |
| Cp,liquid | 214.20 | J/mol×K | 290.00 | NIST |
| η | [0.0002815; 0.0048899] | Pa×s | [195.34; 384.44] |
|
| η | 0.0048899 | Pa×s | 195.34 | Joback Calculated Property |
| η | 0.0021832 | Pa×s | 226.86 | Joback Calculated Property |
| η | 0.0011867 | Pa×s | 258.37 | Joback Calculated Property |
| η | 0.0007365 | Pa×s | 289.89 | Joback Calculated Property |
| η | 0.0005019 | Pa×s | 321.41 | Joback Calculated Property |
| η | 0.0003663 | Pa×s | 352.92 | Joback Calculated Property |
| η | 0.0002815 | Pa×s | 384.44 | Joback Calculated Property |
| ΔvapH | [36.60; 38.60] | kJ/mol | [306.00; 439.00] |
|
| ΔvapH | 38.60 | kJ/mol | 306.00 | NIST |
| ΔvapH | 36.60 | kJ/mol | 439.00 | NIST |
| ρl | 885.00 | kg/m3 | 293.00 | KDB |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Pvap | [1.33; 202.62] | kPa | [276.80; 394.24] |
The Yaw...
|
| Equation | ln(Pvp) = A + B/(T + C) | |||
| Coefficient A | 1.45847e+01 | |||
| Coefficient B | -3.09930e+03 | |||
| Coefficient C | -6.00250e+01 | |||
| Temperature range, min. | 276.80 | |||
| Temperature range, max. | 394.24 | |||
| Pvap | 1.33 | kPa | 276.80 | Calculated Property |
| Pvap | 3.00 | kPa | 289.85 | Calculated Property |
| Pvap | 6.19 | kPa | 302.90 | Calculated Property |
| Pvap | 11.87 | kPa | 315.95 | Calculated Property |
| Pvap | 21.37 | kPa | 329.00 | Calculated Property |
| Pvap | 36.42 | kPa | 342.04 | Calculated Property |
| Pvap | 59.21 | kPa | 355.09 | Calculated Property |
| Pvap | 92.38 | kPa | 368.14 | Calculated Property |
| Pvap | 139.01 | kPa | 381.19 | Calculated Property |
| Pvap | 202.62 | kPa | 394.24 | Calculated Property |
| Pvap | [1.17e-04; 3428.21] | kPa | [177.35; 551.35] |
KDB Vap...
|
| Equation | ln(Pvp) = A + B/T + C*ln(T) + D*T^2 | |||
| Coefficient A | -1.77684e+01 | |||
| Coefficient B | -3.64340e+03 | |||
| Coefficient C | 5.72239e+00 | |||
| Coefficient D | -1.18607e-05 | |||
| Temperature range, min. | 177.35 | |||
| Temperature range, max. | 551.35 | |||
| Pvap | 1.17e-04 | kPa | 177.35 | Calculated Property |
| Pvap | 0.02 | kPa | 218.91 | Calculated Property |
| Pvap | 0.48 | kPa | 260.46 | Calculated Property |
| Pvap | 5.83 | kPa | 302.02 | Calculated Property |
| Pvap | 38.18 | kPa | 343.57 | Calculated Property |
| Pvap | 160.90 | kPa | 385.13 | Calculated Property |
| Pvap | 487.07 | kPa | 426.68 | Calculated Property |
| Pvap | 1137.90 | kPa | 468.24 | Calculated Property |
| Pvap | 2155.40 | kPa | 509.79 | Calculated Property |
| Pvap | 3428.21 | kPa | 551.35 | Calculated Property |
Similar Compounds
Find more compounds similar to Formic acid, 2-methylpropyl ester.
Mixtures
Sources
- KDB Vapor Pressure Data
- Crippen Method
- Assessment, measurement and correlation of (vapour + liquid) equilibrium of (carbon dioxide + butyl, isobutyl, and amyl formate) systems
- Joback Method
- KDB
- Aqueous Solubility Prediction Method
- Estimated Solubility Method
- McGowan Method
- NIST Webbook
- The Yaws Handbook of Vapor Pressure
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