- InChI
- InChI=1S/C25H38O4/c1-4-5-6-7-8-9-10-11-12-15-19-28-24(26)22-16-13-14-17-23(22)25(27)29-20-18-21(2)3/h13-14,16-17H,2,4-12,15,18-20H2,1,3H3
- InChI Key
- RJMGQWPKENWAPJ-UHFFFAOYSA-N
- Formula
- C25H38O4
- SMILES
-
C=C(C)CCOC(=O)c1ccccc1C(=O)OCC
CCCCCCCCCC - Molecular Weight1
- 402.57
- 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° | -126.15 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -708.23 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 57.14 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 91.90 | kJ/mol | Joback Calculated Property |
| log10WS | -8.09 | Crippen Calculated Property | |
| logPoct/wat | 6.887 | Crippen Calculated Property | |
| McVol | 349.930 | ml/mol | McGowan Calculated Property |
| Pc | 999.54 | kPa | Joback Calculated Property |
| Inp | 2835.00 | NIST | |
| Tboil | 952.20 | K | Joback Calculated Property |
| Tc | 1166.06 | K | Joback Calculated Property |
| Tfus | 539.05 | K | Joback Calculated Property |
| Vc | 1.357 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1151.49; 1233.18] | J/mol×K | [952.20; 1166.06] | 
|
| Cp,gas | 1151.49 | J/mol×K | 952.20 | Joback Calculated Property |
| Cp,gas | 1168.35 | J/mol×K | 987.84 | Joback Calculated Property |
| Cp,gas | 1183.86 | J/mol×K | 1023.49 | Joback Calculated Property |
| Cp,gas | 1198.04 | J/mol×K | 1059.13 | Joback Calculated Property |
| Cp,gas | 1210.96 | J/mol×K | 1094.78 | Joback Calculated Property |
| Cp,gas | 1222.66 | J/mol×K | 1130.42 | Joback Calculated Property |
| Cp,gas | 1233.18 | J/mol×K | 1166.06 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Phthalic acid, dodecyl 3-methylbut-3-enyl ester.
Sources
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