- InChI
- InChI=1S/C9H18O2/c1-4-5-6-7-11-9(10)8(2)3/h8H,4-7H2,1-3H3
- InChI Key
- UYGGIIOLYXRSQY-UHFFFAOYSA-N
- Formula
- C9H18O2
- SMILES
- CCCCCOC(=O)C(C)C
- Molecular Weight1
- 158.24
- CAS
- 2445-72-9
- Other Names
-
- 1-Pentyl isobutyrate
- Amyl isobutyrate
- Isobutyric acid, pentyl ester
- N-Amyl iso-butyrate
- Penthyl iso-butyrate
- Pentyl isobutanoate
- Pentyl isobutyrate
- n-Pentyl isobutyrate
- pentyl 2-methylpropanoate
- 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).
- ΔfusH° : Enthalpy of fusion at standard conditions (kJ/mol).
- ΔvapH° : Enthalpy of vaporization at standard conditions (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 |
|---|---|---|---|
| ΔfG° | -211.46 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -479.17 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 18.33 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 44.40 | kJ/mol | Joback Calculated Property |
| 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 | [996.00; 1057.00] |
|
|
| Inp | 1038.00 | NIST | |
| Inp | 1038.10 | NIST | |
| Inp | 1024.00 | NIST | |
| Inp | 1034.00 | NIST | |
| Inp | 1032.00 | NIST | |
| Inp | 1032.00 | NIST | |
| Inp | Outlier 996.00 | NIST | |
| Inp | 1057.00 | NIST | |
| Inp | 1057.00 | NIST | |
| Inp | 999.00 | NIST | |
| Inp | 1039.00 | NIST | |
| Inp | 1040.00 | NIST | |
| Inp | 1057.00 | NIST | |
| Inp | 1024.00 | NIST | |
| Inp | 1012.00 | NIST | |
| Inp | 1057.00 | NIST | |
| Inp | 1033.00 | NIST | |
| Inp | 1056.00 | NIST | |
| Inp | 1012.00 | NIST | |
| Inp | 1056.00 | NIST | |
| Inp | 1054.00 | NIST | |
| Inp | 1054.00 | NIST | |
| Inp | 1009.00 | NIST | |
| Inp | 1035.00 | NIST | |
| Inp | 1024.00 | NIST | |
| Inp | 1035.00 | NIST | |
| I | [1237.00; 1247.00] |
|
|
| I | 1241.00 | NIST | |
| I | 1247.00 | NIST | |
| I | 1237.00 | NIST | |
| I | 1237.00 | NIST | |
| Tboil | 416.00 ± 2.00 | K | NIST |
| 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 |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Pvap | [1.33; 202.64] | kPa | [336.52; 486.31] |
The Yaw...
|
| Equation | ln(Pvp) = A + B/(T + C) | |||
| Coefficient A | 1.43933e+01 | |||
| Coefficient B | -3.81960e+03 | |||
| Coefficient C | -6.57360e+01 | |||
| Temperature range, min. | 336.52 | |||
| Temperature range, max. | 486.31 | |||
| Pvap | 1.33 | kPa | 336.52 | Calculated Property |
| Pvap | 3.02 | kPa | 353.16 | Calculated Property |
| Pvap | 6.24 | kPa | 369.81 | Calculated Property |
| Pvap | 11.98 | kPa | 386.45 | Calculated Property |
| Pvap | 21.57 | kPa | 403.09 | Calculated Property |
| Pvap | 36.73 | kPa | 419.74 | Calculated Property |
| Pvap | 59.62 | kPa | 436.38 | Calculated Property |
| Pvap | 92.84 | kPa | 453.02 | Calculated Property |
| Pvap | 139.38 | kPa | 469.67 | Calculated Property |
| Pvap | 202.64 | kPa | 486.31 | Calculated Property |
Similar Compounds
Find more compounds similar to Propanoic acid, 2-methyl-, pentyl ester.
Sources
- Crippen Method
- Crippen Method
- Joback Method
- McGowan Method
- NIST Webbook
- The Yaws Handbook of Vapor Pressure
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that the value is more than 2 standard deviations away from the
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