- InChI
- InChI=1S/C26H40O4/c1-4-5-6-7-8-9-10-11-12-13-16-20-29-25(27)23-17-14-15-18-24(23)26(28)30-21-19-22(2)3/h14-15,17-18H,2,4-13,16,19-21H2,1,3H3
- InChI Key
- ZSPYOCZBRXMJER-UHFFFAOYSA-N
- Formula
- C26H40O4
- SMILES
-
C=C(C)CCOC(=O)c1ccccc1C(=O)OCC
CCCCCCCCCCC - Molecular Weight1
- 416.59
- 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° | -117.73 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -728.87 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 59.73 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 94.13 | kJ/mol | Joback Calculated Property |
| log10WS | -8.51 | Crippen Calculated Property | |
| logPoct/wat | 7.277 | Crippen Calculated Property | |
| McVol | 364.020 | ml/mol | McGowan Calculated Property |
| Pc | 941.52 | kPa | Joback Calculated Property |
| Inp | 2939.00 | NIST | |
| Tboil | 975.08 | K | Joback Calculated Property |
| Tc | 1193.80 | K | Joback Calculated Property |
| Tfus | 550.32 | K | Joback Calculated Property |
| Vc | 1.413 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1213.51; 1295.81] | J/mol×K | [975.08; 1193.80] | 
|
| Cp,gas | 1213.51 | J/mol×K | 975.08 | Joback Calculated Property |
| Cp,gas | 1230.65 | J/mol×K | 1011.53 | Joback Calculated Property |
| Cp,gas | 1246.35 | J/mol×K | 1047.99 | Joback Calculated Property |
| Cp,gas | 1260.66 | J/mol×K | 1084.44 | Joback Calculated Property |
| Cp,gas | 1273.63 | J/mol×K | 1120.89 | Joback Calculated Property |
| Cp,gas | 1285.33 | J/mol×K | 1157.35 | Joback Calculated Property |
| Cp,gas | 1295.81 | J/mol×K | 1193.80 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Phthalic acid, 3-methylbut-3-enyl tridecyl ester.
Sources
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