- InChI
- InChI=1S/C12H22O2/c1-6-7-10(4)12(13)14-11(5)8-9(2)3/h6,9-11H,1,7-8H2,2-5H3
- InChI Key
- PWISOICVELVVDM-UHFFFAOYSA-N
- Formula
- C12H22O2
- SMILES
- C=CCC(C)C(=O)OC(C)CC(C)C
- Molecular Weight1
- 198.30
- 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).
- Inp : Non-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° | -103.24 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -426.22 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 17.77 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 49.63 | kJ/mol | Joback Calculated Property |
| log10WS | -3.19 | Crippen Calculated Property | |
| logPoct/wat | 3.176 | Crippen Calculated Property | |
| McVol | 183.080 | ml/mol | McGowan Calculated Property |
| Pc | 1961.34 | kPa | Joback Calculated Property |
| Inp | [1214.00; 1214.00] |
|
|
| Inp | 1214.00 | NIST | |
| Inp | 1214.00 | NIST | |
| Tboil | 545.61 | K | Joback Calculated Property |
| Tc | 728.30 | K | Joback Calculated Property |
| Tfus | 250.40 | K | Joback Calculated Property |
| Vc | 0.695 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [445.18; 532.03] | J/mol×K | [545.61; 728.30] |
|
| Cp,gas | 445.18 | J/mol×K | 545.61 | Joback Calculated Property |
| Cp,gas | 461.40 | J/mol×K | 576.06 | Joback Calculated Property |
| Cp,gas | 476.91 | J/mol×K | 606.51 | Joback Calculated Property |
| Cp,gas | 491.71 | J/mol×K | 636.96 | Joback Calculated Property |
| Cp,gas | 505.82 | J/mol×K | 667.40 | Joback Calculated Property |
| Cp,gas | 519.26 | J/mol×K | 697.85 | Joback Calculated Property |
| Cp,gas | 532.03 | J/mol×K | 728.30 | Joback Calculated Property |
| η | [0.0001603; 0.0088592] | Pa×s | [250.40; 545.61] |
|
| η | 0.0088592 | Pa×s | 250.40 | Joback Calculated Property |
| η | 0.0026211 | Pa×s | 299.60 | Joback Calculated Property |
| η | 0.0010934 | Pa×s | 348.80 | Joback Calculated Property |
| η | 0.0005662 | Pa×s | 398.00 | Joback Calculated Property |
| η | 0.0003389 | Pa×s | 447.21 | Joback Calculated Property |
| η | 0.0002245 | Pa×s | 496.41 | Joback Calculated Property |
| η | 0.0001603 | Pa×s | 545.61 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 4-Pentenoic acid, 2-methyl-, 4-methyl-2-pentyl ester.
Sources
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