- InChI
- InChI=1S/C24H32O4/c1-23(2)17-7-15(8-18(23)11-17)13-27-21(25)5-6-22(26)28-14-16-9-19-12-20(10-16)24(19,3)4/h5-7,9,17-20H,8,10-14H2,1-4H3/b6-5+
- InChI Key
- PZZSDJFWIZUMDC-AATRIKPKSA-N
- Formula
- C24H32O4
- SMILES
-
CC1(C)C2C=C(COC(=O)C=CC(=O)OCC
3=CC4CC(C3)C4(C)C)CC1C2 - Molecular Weight1
- 384.51
- 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 | 0.7001 | Relay (1.0) Calculated Property | |
| ΔfG° | -3.36 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -716.37 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 43.24 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 114.05 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.93 | eV | Relay (1.0) Calculated Property |
| log10WS | -6.03 | Relay (1.0) Calculated Property | |
| logPoct/wat | 4.614 | Crippen Calculated Property | |
| McVol | 307.560 | ml/mol | McGowan Calculated Property |
| Pc | 1330.04 | kPa | Joback Calculated Property |
| Inp | 2746.00 | NIST | |
| Tboil | 641.12 | K | Relay (1.0) Calculated Property |
| Tc | 939.69 | K | Relay (1.0) Calculated Property |
| Tfus | 441.93 | K | Relay (1.0) Calculated Property |
| Vc | 1.118 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1082.11; 1260.89] | J/mol×K | [940.18; 1168.58] | 
|
| Cp,gas | 1082.11 | J/mol×K | 940.18 | Joback Calculated Property |
| Cp,gas | 1108.36 | J/mol×K | 978.25 | Joback Calculated Property |
| Cp,gas | 1135.57 | J/mol×K | 1016.31 | Joback Calculated Property |
| Cp,gas | 1164.09 | J/mol×K | 1054.38 | Joback Calculated Property |
| Cp,gas | 1194.26 | J/mol×K | 1092.44 | Joback Calculated Property |
| Cp,gas | 1226.41 | J/mol×K | 1130.51 | Joback Calculated Property |
| Cp,gas | 1260.89 | J/mol×K | 1168.58 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Fumaric acid, dimyrtenyl ester.
Sources
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