- InChI
- InChI=1S/C22H42O2/c1-4-6-7-8-9-10-11-12-13-14-15-16-17-18-20-24-22(23)21(3)19-5-2/h5,21H,2,4,6-20H2,1,3H3
- InChI Key
- AFDKHYRYTRWOSQ-UHFFFAOYSA-N
- Formula
- C22H42O2
- SMILES
- C=CCC(C)C(=O)OCCCCCCCCCCCCCCCC
- Molecular Weight1
- 338.57
- 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 | 0.9515 | Relay (1.0) Calculated Property | |
| ΔfG° | -14.16 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -715.97 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 50.72 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 97.57 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.56 | eV | Relay (1.0) Calculated Property |
| log10WS | -7.03 | Relay (1.0) Calculated Property | |
| logPoct/wat | 7.223 | Crippen Calculated Property | |
| McVol | 323.980 | ml/mol | McGowan Calculated Property |
| Pc | 956.14 | kPa | Joback Calculated Property |
| Inp | [2313.00; 2313.00] |
|
|
| Inp | 2313.00 | NIST | |
| Inp | 2313.00 | NIST | |
| Tboil | 613.07 | K | Relay (1.0) Calculated Property |
| Tc | 789.31 | K | Relay (1.0) Calculated Property |
| Tfus | 279.07 | K | Relay (1.0) Calculated Property |
| Vc | 1.220 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1004.89; 1111.14] | J/mol×K | [775.29; 952.90] |
|
| Cp,gas | 1004.89 | J/mol×K | 775.29 | Joback Calculated Property |
| Cp,gas | 1025.02 | J/mol×K | 804.89 | Joback Calculated Property |
| Cp,gas | 1044.14 | J/mol×K | 834.49 | Joback Calculated Property |
| Cp,gas | 1062.28 | J/mol×K | 864.09 | Joback Calculated Property |
| Cp,gas | 1079.47 | J/mol×K | 893.69 | Joback Calculated Property |
| Cp,gas | 1095.75 | J/mol×K | 923.30 | Joback Calculated Property |
| Cp,gas | 1111.14 | J/mol×K | 952.90 | Joback Calculated Property |
| η | [0.0000545; 0.0016574] | Pa×s | [393.10; 775.29] |
|
| η | 0.0016574 | Pa×s | 393.10 | Joback Calculated Property |
| η | 0.0006309 | Pa×s | 456.80 | Joback Calculated Property |
| η | 0.0003042 | Pa×s | 520.50 | Joback Calculated Property |
| η | 0.0001719 | Pa×s | 584.19 | Joback Calculated Property |
| η | 0.0001087 | Pa×s | 647.89 | Joback Calculated Property |
| η | 0.0000746 | Pa×s | 711.59 | Joback Calculated Property |
| η | 0.0000545 | Pa×s | 775.29 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 4-Pentenoic acid, 2-methyl-, hexadecyl ester.
Sources
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