- InChI
- InChI=1S/C24H36O4/c1-4-5-6-7-8-9-10-11-14-18-27-23(25)21-15-12-13-16-22(21)24(26)28-19-17-20(2)3/h12-13,15-16H,2,4-11,14,17-19H2,1,3H3
- InChI Key
- AYJKJJRCSIHIOD-UHFFFAOYSA-N
- Formula
- C24H36O4
- SMILES
-
C=C(C)CCOC(=O)c1ccccc1C(=O)OCC
CCCCCCCCC - Molecular Weight1
- 388.54
- 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).
- 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 |
|---|---|---|---|
| ω | 1.1007 | Relay (1.0) Calculated Property | |
| ΔfG° | -134.57 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -818.93 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 54.55 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 108.76 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.17 | eV | Relay (1.0) Calculated Property |
| log10WS | -6.75 | Relay (1.0) Calculated Property | |
| logPoct/wat | 6.497 | Crippen Calculated Property | |
| McVol | 335.840 | ml/mol | McGowan Calculated Property |
| Pc | 1063.10 | kPa | Joback Calculated Property |
| Inp | 2733.00 | NIST | |
| Tboil | 674.82 | K | Relay (1.0) Calculated Property |
| Tc | 864.76 | K | Relay (1.0) Calculated Property |
| Tfus | 268.99 | K | Relay (1.0) Calculated Property |
| Vc | 1.249 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1089.97; 1171.08] | J/mol×K | [929.32; 1139.31] | 
|
| Cp,gas | 1089.97 | J/mol×K | 929.32 | Joback Calculated Property |
| Cp,gas | 1106.59 | J/mol×K | 964.32 | Joback Calculated Property |
| Cp,gas | 1121.92 | J/mol×K | 999.32 | Joback Calculated Property |
| Cp,gas | 1135.98 | J/mol×K | 1034.32 | Joback Calculated Property |
| Cp,gas | 1148.84 | J/mol×K | 1069.32 | Joback Calculated Property |
| Cp,gas | 1160.52 | J/mol×K | 1104.31 | Joback Calculated Property |
| Cp,gas | 1171.08 | J/mol×K | 1139.31 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Phthalic acid, 3-methylbut-3-enyl undecyl ester.
Sources
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