- InChI
- InChI=1S/C31H50O4/c1-3-5-7-8-9-10-11-12-13-14-15-16-17-18-19-23-27-35-31(33)29-25-21-20-24-28(29)30(32)34-26-22-6-4-2/h4,20-21,24-25H,2-3,5-19,22-23,26-27H2,1H3
- InChI Key
- MWFDHAYJSNSOJR-UHFFFAOYSA-N
- Formula
- C31H50O4
- SMILES
-
C=CCCCOC(=O)c1ccccc1C(=O)OCCCC
CCCCCCCCCCCCCC - Molecular Weight1
- 486.73
- ω : Acentric Factor.
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- η : Dynamic viscosity (Pa×s).
- 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 | 1.3616 | Relay (1.0) Calculated Property | |
| ΔfG° | -219.98 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -962.58 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 77.16 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 137.60 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.51 | eV | Relay (1.0) Calculated Property |
| log10WS | -8.71 | Relay (1.0) Calculated Property | |
| logPoct/wat | 9.228 | Crippen Calculated Property | |
| McVol | 434.470 | ml/mol | McGowan Calculated Property |
| Pc | 683.14 | kPa | Joback Calculated Property |
| Inp | 3465.00 | NIST | |
| Tboil | 731.80 | K | Relay (1.0) Calculated Property |
| Tc | 918.69 | K | Relay (1.0) Calculated Property |
| Tfus | 286.23 | K | Relay (1.0) Calculated Property |
| Vc | 1.627 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1512.10; 1595.02] | J/mol×K | [1053.66; 1303.31] | 
|
| Cp,gas | 1512.10 | J/mol×K | 1053.66 | Joback Calculated Property |
| Cp,gas | 1530.74 | J/mol×K | 1095.27 | Joback Calculated Property |
| Cp,gas | 1547.31 | J/mol×K | 1136.88 | Joback Calculated Property |
| Cp,gas | 1561.91 | J/mol×K | 1178.48 | Joback Calculated Property |
| Cp,gas | 1574.65 | J/mol×K | 1220.09 | Joback Calculated Property |
| Cp,gas | 1585.65 | J/mol×K | 1261.70 | Joback Calculated Property |
| Cp,gas | 1595.02 | J/mol×K | 1303.31 | Joback Calculated Property |
| η | [0.0000084; 0.0002222] | Pa×s | [560.97; 1053.66] |
|
| η | 0.0002222 | Pa×s | 560.97 | Joback Calculated Property |
| η | 0.0000909 | Pa×s | 643.09 | Joback Calculated Property |
| η | 0.0000455 | Pa×s | 725.20 | Joback Calculated Property |
| η | 0.0000263 | Pa×s | 807.31 | Joback Calculated Property |
| η | 0.0000168 | Pa×s | 889.43 | Joback Calculated Property |
| η | 0.0000115 | Pa×s | 971.54 | Joback Calculated Property |
| η | 0.0000084 | Pa×s | 1053.66 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Phthalic acid, octadecyl pent-4-enyl ester.
Sources
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