- InChI
- InChI=1S/C22H42O2/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-24-22(23)21(2)3/h2,4-20H2,1,3H3
- InChI Key
- HMZGPNHSPWNGEP-UHFFFAOYSA-N
- Formula
- C22H42O2
- SMILES
- C=C(C)C(=O)OCCCCCCCCCCCCCCCCCC
- Molecular Weight1
- 338.57
- CAS
- 112-08-3
- ω : Acentric Factor.
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- 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).
- 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 | 1.0266 | Relay (1.0) Calculated Property | |
| ΔfG° | -20.27 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -706.94 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 52.93 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 107.99 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.80 | eV | Relay (1.0) Calculated Property |
| log10WS | -7.37 | Relay (1.0) Calculated Property | |
| logPoct/wat | 7.367 | Crippen Calculated Property | |
| McVol | 323.980 | ml/mol | McGowan Calculated Property |
| Pc | 954.37 | kPa | Joback Calculated Property |
| Tboil | 609.57 | K | Relay (1.0) Calculated Property |
| Tc | 788.61 | K | Relay (1.0) Calculated Property |
| Tfus | 305.92 | K | Relay (1.0) Calculated Property |
| Vc | 1.264 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1004.06; 1110.33] | J/mol×K | [775.61; 953.12] | 
|
| Cp,gas | 1004.06 | J/mol×K | 775.61 | Joback Calculated Property |
| Cp,gas | 1024.17 | J/mol×K | 805.19 | Joback Calculated Property |
| Cp,gas | 1043.27 | J/mol×K | 834.78 | Joback Calculated Property |
| Cp,gas | 1061.41 | J/mol×K | 864.36 | Joback Calculated Property |
| Cp,gas | 1078.61 | J/mol×K | 893.95 | Joback Calculated Property |
| Cp,gas | 1094.90 | J/mol×K | 923.53 | Joback Calculated Property |
| Cp,gas | 1110.33 | J/mol×K | 953.12 | Joback Calculated Property |
Similar Compounds
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Sources
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