- InChI
- InChI=1S/C31H50O4/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-21-25-34-30(32)28-22-19-20-23-29(28)31(33)35-26-24-27(2)3/h19-20,22-23H,2,4-18,21,24-26H2,1,3H3
- InChI Key
- NPMDQVAMWAWDEM-UHFFFAOYSA-N
- Formula
- C31H50O4
- SMILES
-
C=C(C)CCOC(=O)c1ccccc1C(=O)OCC
CCCCCCCCCCCCCCCC - Molecular Weight1
- 486.73
- 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° | -75.63 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -832.07 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 72.68 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 105.26 | kJ/mol | Joback Calculated Property |
| log10WS | -10.60 | Crippen Calculated Property | |
| logPoct/wat | 9.228 | Crippen Calculated Property | |
| McVol | 434.470 | ml/mol | McGowan Calculated Property |
| Pc | 715.30 | kPa | Joback Calculated Property |
| Inp | 3452.00 | NIST | |
| Tboil | 1089.48 | K | Joback Calculated Property |
| Tc | 1349.96 | K | Joback Calculated Property |
| Tfus | 606.67 | K | Joback Calculated Property |
| Vc | 1.694 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1529.58; 1615.56] | J/mol×K | [1089.48; 1349.96] | 
|
| Cp,gas | 1529.58 | J/mol×K | 1089.48 | Joback Calculated Property |
| Cp,gas | 1548.62 | J/mol×K | 1132.89 | Joback Calculated Property |
| Cp,gas | 1565.61 | J/mol×K | 1176.31 | Joback Calculated Property |
| Cp,gas | 1580.68 | J/mol×K | 1219.72 | Joback Calculated Property |
| Cp,gas | 1593.95 | J/mol×K | 1263.13 | Joback Calculated Property |
| Cp,gas | 1605.53 | J/mol×K | 1306.55 | Joback Calculated Property |
| Cp,gas | 1615.56 | J/mol×K | 1349.96 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Phthalic acid, 3-methylbut-3-enyl octadecyl ester.
Sources
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