- InChI
- InChI=1S/C20H38O2/c1-4-6-7-8-9-10-11-12-13-14-15-16-18-22-20(21)19(3)17-5-2/h5,19H,2,4,6-18H2,1,3H3
- InChI Key
- AITVUERWEKFFAB-UHFFFAOYSA-N
- Formula
- C20H38O2
- SMILES
- C=CCC(C)C(=O)OCCCCCCCCCCCCCC
- Molecular Weight1
- 310.51
- ω : Acentric Factor.
- 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).
- 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).
- 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 |
|---|---|---|---|
| ω | 0.8815 | Relay (1.0) Calculated Property | |
| ΔfG° | -31.00 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -673.47 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 45.54 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 89.13 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.49 | eV | Relay (1.0) Calculated Property |
| log10WS | -6.36 | Relay (1.0) Calculated Property | |
| logPoct/wat | 6.443 | Crippen Calculated Property | |
| McVol | 295.800 | ml/mol | McGowan Calculated Property |
| Pc | 1080.64 | kPa | Joback Calculated Property |
| Inp | [2110.00; 2110.00] |
|
|
| Inp | 2110.00 | NIST | |
| Inp | 2110.00 | NIST | |
| Tboil | 596.13 | K | Relay (1.0) Calculated Property |
| Tc | 772.16 | K | Relay (1.0) Calculated Property |
| Tfus | 268.83 | K | Relay (1.0) Calculated Property |
| Vc | 1.108 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [883.57; 986.12] | J/mol×K | [729.53; 902.98] |
|
| Cp,gas | 883.57 | J/mol×K | 729.53 | Joback Calculated Property |
| Cp,gas | 902.88 | J/mol×K | 758.44 | Joback Calculated Property |
| Cp,gas | 921.27 | J/mol×K | 787.35 | Joback Calculated Property |
| Cp,gas | 938.76 | J/mol×K | 816.26 | Joback Calculated Property |
| Cp,gas | 955.38 | J/mol×K | 845.16 | Joback Calculated Property |
| Cp,gas | 971.16 | J/mol×K | 874.07 | Joback Calculated Property |
| Cp,gas | 986.12 | J/mol×K | 902.98 | Joback Calculated Property |
| η | [0.0000717; 0.0020748] | Pa×s | [370.56; 729.53] |
|
| η | 0.0020748 | Pa×s | 370.56 | Joback Calculated Property |
| η | 0.0008018 | Pa×s | 430.39 | Joback Calculated Property |
| η | 0.0003908 | Pa×s | 490.22 | Joback Calculated Property |
| η | 0.0002227 | Pa×s | 550.04 | Joback Calculated Property |
| η | 0.0001417 | Pa×s | 609.87 | Joback Calculated Property |
| η | 0.0000977 | Pa×s | 669.70 | Joback Calculated Property |
| η | 0.0000717 | Pa×s | 729.53 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 4-Pentenoic acid, 2-methyl-, tetradecyl ester.
Sources
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