- InChI
- InChI=1S/C9H18O2/c1-4-5-6-9(10)11-7-8(2)3/h8H,4-7H2,1-3H3
- InChI Key
- ADNADZOSMJDVIS-UHFFFAOYSA-N
- Formula
- C9H18O2
- SMILES
- CCCCC(=O)OCC(C)C
- Molecular Weight1
- 158.24
- CAS
- 10588-10-0
- Other Names
-
- 2-METHYLPROPYL VALERATE
- 2-Methyl-1-propyl n-valerate
- ISOBUTYL PENTANOATE
- ISOBUTYL VALERINATE
- Isobutyl valerate
- Valeric acid, isobutyl ester
- ΔcH°liquid : Standard liquid enthalpy of combustion (kJ/mol).
- Cp,gas : Ideal gas 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).
- 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).
- 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).
- 1: Molecular weight from the IUPAC atomic weights tables.
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Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| ΔcH°liquid | -5486.50 ± 3.30 | kJ/mol | NIST |
| ΔfG° | -211.46 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -569.00 ± 4.00 | kJ/mol | NIST |
| ΔfH°liquid | -620.00 ± 3.00 | kJ/mol | NIST |
| ΔfusH° | 18.33 | kJ/mol | Joback Calculated Property |
| ΔvapH° | [51.00; 51.00] | kJ/mol |
|
| ΔvapH° | 51.00 ± 1.00 | kJ/mol | NIST |
| ΔvapH° | 51.00 | kJ/mol | NIST |
| log10WS | -2.21 | Crippen Calculated Property | |
| logPoct/wat | 2.376 | Crippen Calculated Property | |
| McVol | 145.110 | ml/mol | McGowan Calculated Property |
| Pc | 2431.44 | kPa | Joback Calculated Property |
| Inp | [1009.00; 1044.00] |
|
|
| Inp | 1027.00 | NIST | |
| Inp | 1009.00 | NIST | |
| Inp | 1036.00 | NIST | |
| Inp | 1027.00 | NIST | |
| Inp | 1027.00 | NIST | |
| Inp | 1009.00 | NIST | |
| Inp | 1044.00 | NIST | |
| Inp | 1027.00 | NIST | |
| Inp | 1040.00 | NIST | |
| Inp | 1027.00 | NIST | |
| I | [1252.00; 1253.00] |
|
|
| I | 1253.00 | NIST | |
| I | 1252.00 | NIST | |
| I | 1252.00 | NIST | |
| Tboil | 481.17 | K | Joback Calculated Property |
| Tc | 658.49 | K | Joback Calculated Property |
| Tfus | 248.35 | K | Joback Calculated Property |
| Vc | 0.557 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [323.06; 397.15] | J/mol×K | [481.17; 658.49] |
|
| Cp,gas | 323.06 | J/mol×K | 481.17 | Joback Calculated Property |
| Cp,gas | 336.66 | J/mol×K | 510.72 | Joback Calculated Property |
| Cp,gas | 349.76 | J/mol×K | 540.28 | Joback Calculated Property |
| Cp,gas | 362.35 | J/mol×K | 569.83 | Joback Calculated Property |
| Cp,gas | 374.44 | J/mol×K | 599.38 | Joback Calculated Property |
| Cp,gas | 386.04 | J/mol×K | 628.93 | Joback Calculated Property |
| Cp,gas | 397.15 | J/mol×K | 658.49 | Joback Calculated Property |
| η | [0.0002272; 0.0047844] | Pa×s | [248.35; 481.17] |
|
| η | 0.0047844 | Pa×s | 248.35 | Joback Calculated Property |
| η | 0.0020429 | Pa×s | 287.15 | Joback Calculated Property |
| η | 0.0010682 | Pa×s | 325.96 | Joback Calculated Property |
| η | 0.0006412 | Pa×s | 364.76 | Joback Calculated Property |
| η | 0.0004246 | Pa×s | 403.56 | Joback Calculated Property |
| η | 0.0003022 | Pa×s | 442.37 | Joback Calculated Property |
| η | 0.0002272 | Pa×s | 481.17 | Joback Calculated Property |
| ΔvapH | 41.00 | kJ/mol | 293.00 | NIST |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Pvap | [8.08; 98.31] | kPa | [365.15; 440.15] |
KDB Vap...
|
| Equation | ln(Pvp) = A + B/T + C*ln(T) + D*T^2 | |||
| Coefficient A | 9.77538e+00 | |||
| Coefficient B | -5.00764e+03 | |||
| Coefficient C | 1.03362e+00 | |||
| Coefficient D | -5.25977e-07 | |||
| Temperature range, min. | 365.15 | |||
| Temperature range, max. | 440.15 | |||
| Pvap | 8.08 | kPa | 365.15 | Calculated Property |
| Pvap | 11.20 | kPa | 373.48 | Calculated Property |
| Pvap | 15.31 | kPa | 381.82 | Calculated Property |
| Pvap | 20.64 | kPa | 390.15 | Calculated Property |
| Pvap | 27.50 | kPa | 398.48 | Calculated Property |
| Pvap | 36.21 | kPa | 406.82 | Calculated Property |
| Pvap | 47.17 | kPa | 415.15 | Calculated Property |
| Pvap | 60.83 | kPa | 423.48 | Calculated Property |
| Pvap | 77.68 | kPa | 431.82 | Calculated Property |
| Pvap | 98.31 | kPa | 440.15 | Calculated Property |
Similar Compounds
Find more compounds similar to Pentanoic acid, 2-methylpropyl ester.
Sources
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