- InChI
- InChI=1S/C23H44O2/c1-4-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-25-23(24)22(3)5-2/h5H,4,6-21H2,1-3H3/b22-5+
- InChI Key
- SBKJWIXXZKMGTM-RREIPUBJSA-N
- Formula
- C23H44O2
- SMILES
-
CC=C(C)C(=O)OCCCCCCCCCCCCCCCCC
C - Molecular Weight1
- 352.59
- 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).
- 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° | -19.47 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -655.42 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 57.01 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 75.99 | kJ/mol | Joback Calculated Property |
| log10WS | -8.17 | Crippen Calculated Property | |
| logPoct/wat | 7.757 | Crippen Calculated Property | |
| McVol | 338.070 | ml/mol | McGowan Calculated Property |
| Pc | 905.61 | kPa | Joback Calculated Property |
| Inp | [2535.00; 2535.00] |
|
|
| Inp | 2535.00 | NIST | |
| Inp | 2535.00 | NIST | |
| Tboil | 805.97 | K | Joback Calculated Property |
| Tc | 988.62 | K | Joback Calculated Property |
| Tfus | 402.09 | K | Joback Calculated Property |
| Vc | 1.329 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1068.44; 1176.91] | J/mol×K | [805.97; 988.62] |
|
| Cp,gas | 1068.44 | J/mol×K | 805.97 | Joback Calculated Property |
| Cp,gas | 1088.98 | J/mol×K | 836.41 | Joback Calculated Property |
| Cp,gas | 1108.48 | J/mol×K | 866.85 | Joback Calculated Property |
| Cp,gas | 1126.99 | J/mol×K | 897.30 | Joback Calculated Property |
| Cp,gas | 1144.53 | J/mol×K | 927.74 | Joback Calculated Property |
| Cp,gas | 1161.16 | J/mol×K | 958.18 | Joback Calculated Property |
| Cp,gas | 1176.91 | J/mol×K | 988.62 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to (Octadecyl E)-2-methylbut-2-enoate.
Sources
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