- InChI
- InChI=1S/C29H46O4/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-19-23-32-28(30)26-20-17-18-21-27(26)29(31)33-24-22-25(2)3/h17-18,20-21H,2,4-16,19,22-24H2,1,3H3
- InChI Key
- YBEFGDQROIWZRM-UHFFFAOYSA-N
- Formula
- C29H46O4
- SMILES
-
C=C(C)CCOC(=O)c1ccccc1C(=O)OCC
CCCCCCCCCCCCCC - Molecular Weight1
- 458.67
- 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 | 1.2807 | Relay (1.0) Calculated Property | |
| ΔfG° | -92.47 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -925.97 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 67.50 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 127.97 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.35 | eV | Relay (1.0) Calculated Property |
| log10WS | -8.13 | Relay (1.0) Calculated Property | |
| logPoct/wat | 8.448 | Crippen Calculated Property | |
| McVol | 406.290 | ml/mol | McGowan Calculated Property |
| Pc | 794.84 | kPa | Joback Calculated Property |
| Inp | 3246.00 | NIST | |
| Tboil | 708.62 | K | Relay (1.0) Calculated Property |
| Tc | 898.33 | K | Relay (1.0) Calculated Property |
| Tfus | 285.10 | K | Relay (1.0) Calculated Property |
| Vc | 1.522 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1402.12; 1486.49] | J/mol×K | [1043.72; 1283.65] | 
|
| Cp,gas | 1402.12 | J/mol×K | 1043.72 | Joback Calculated Property |
| Cp,gas | 1420.28 | J/mol×K | 1083.71 | Joback Calculated Property |
| Cp,gas | 1436.69 | J/mol×K | 1123.70 | Joback Calculated Property |
| Cp,gas | 1451.42 | J/mol×K | 1163.69 | Joback Calculated Property |
| Cp,gas | 1464.58 | J/mol×K | 1203.68 | Joback Calculated Property |
| Cp,gas | 1476.24 | J/mol×K | 1243.66 | Joback Calculated Property |
| Cp,gas | 1486.49 | J/mol×K | 1283.65 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Phthalic acid, hexadecyl 3-methylbut-3-enyl ester.
Sources
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