- InChI
- InChI=1S/C7H14O2/c1-4-6(3)9-7(8)5-2/h6H,4-5H2,1-3H3
- InChI Key
- VPSLGSSVPWVZFG-UHFFFAOYSA-N
- Formula
- C7H14O2
- SMILES
- CCC(=O)OC(C)CC
- Molecular Weight1
- 130.18
- CAS
- 591-34-4
- Other Names
-
- 1-Methylpropyl propanoate
- Propionic acid, sec-butyl ester
- sec-Butyl propionate
- 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).
- 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 |
|---|---|---|---|
| ΔcH°liquid | -4185.30 | kJ/mol | NIST |
| ΔfG° | -228.30 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -437.89 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 13.15 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 39.94 | kJ/mol | Joback Calculated Property |
| log10WS | -1.73 | Crippen Calculated Property | |
| logPoct/wat | 1.738 | Crippen Calculated Property | |
| McVol | 116.930 | ml/mol | McGowan Calculated Property |
| Pc | 2966.57 | kPa | Joback Calculated Property |
| Inp | [825.00; 889.00] |
|
|
| Inp | 829.00 | NIST | |
| Inp | 825.00 | NIST | |
| Inp | 845.00 | NIST | |
| Inp | 845.00 | NIST | |
| Inp | 838.00 | NIST | |
| Inp | 832.00 | NIST | |
| Inp | 847.00 | NIST | |
| Inp | Outlier 889.00 | NIST | |
| I | [1048.00; 1092.00] |
|
|
| I | 1092.00 | NIST | |
| I | 1067.00 | NIST | |
| I | 1070.00 | NIST | |
| I | 1048.00 | NIST | |
| I | 1065.00 | NIST | |
| Tboil | 406.20 | K | NIST |
| Tc | 615.76 | K | Joback Calculated Property |
| Tfus | 225.81 | K | Joback Calculated Property |
| Vc | 0.446 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [238.73; 301.45] | J/mol×K | [435.41; 615.76] |
|
| Cp,gas | 238.73 | J/mol×K | 435.41 | Joback Calculated Property |
| Cp,gas | 250.17 | J/mol×K | 465.47 | Joback Calculated Property |
| Cp,gas | 261.22 | J/mol×K | 495.53 | Joback Calculated Property |
| Cp,gas | 271.87 | J/mol×K | 525.58 | Joback Calculated Property |
| Cp,gas | 282.12 | J/mol×K | 555.64 | Joback Calculated Property |
| Cp,gas | 291.98 | J/mol×K | 585.70 | Joback Calculated Property |
| Cp,gas | 301.45 | J/mol×K | 615.76 | Joback Calculated Property |
| η | [0.0002542; 0.0047724] | Pa×s | [225.81; 435.41] |
|
| η | 0.0047724 | Pa×s | 225.81 | Joback Calculated Property |
| η | 0.0021099 | Pa×s | 260.74 | Joback Calculated Property |
| η | 0.0011312 | Pa×s | 295.68 | Joback Calculated Property |
| η | 0.0006919 | Pa×s | 330.61 | Joback Calculated Property |
| η | 0.0004649 | Pa×s | 365.54 | Joback Calculated Property |
| η | 0.0003348 | Pa×s | 400.48 | Joback Calculated Property |
| η | 0.0002542 | Pa×s | 435.41 | Joback Calculated Property |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Pvap | [1.33; 202.64] | kPa | [302.82; 431.29] |
The Yaw...
|
| Equation | ln(Pvp) = A + B/(T + C) | |||
| Coefficient A | 1.50392e+01 | |||
| Coefficient B | -3.66963e+03 | |||
| Coefficient C | -5.40600e+01 | |||
| Temperature range, min. | 302.82 | |||
| Temperature range, max. | 431.29 | |||
| Pvap | 1.33 | kPa | 302.82 | Calculated Property |
| Pvap | 2.97 | kPa | 317.09 | Calculated Property |
| Pvap | 6.09 | kPa | 331.37 | Calculated Property |
| Pvap | 11.64 | kPa | 345.64 | Calculated Property |
| Pvap | 20.94 | kPa | 359.92 | Calculated Property |
| Pvap | 35.74 | kPa | 374.19 | Calculated Property |
| Pvap | 58.31 | kPa | 388.47 | Calculated Property |
| Pvap | 91.37 | kPa | 402.74 | Calculated Property |
| Pvap | 138.22 | kPa | 417.02 | Calculated Property |
| Pvap | 202.64 | kPa | 431.29 | Calculated Property |
Similar Compounds
Find more compounds similar to Propanoic acid, 1-methylpropyl ester.
Sources
- Crippen Method
- Crippen Method
- Joback Method
- McGowan Method
- NIST Webbook
- The Yaws Handbook of Vapor Pressure
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