- InChI
- InChI=1S/C22H34O4/c1-4-5-6-7-8-9-12-25-20(23)10-11-21(24)26-16-17-13-18-15-19(14-17)22(18,2)3/h10-11,13,18-19H,4-9,12,14-16H2,1-3H3/b11-10+
- InChI Key
- QQQLDTKPIVKDDD-ZHACJKMWSA-N
- Formula
- C22H34O4
- SMILES
-
CCCCCCCCOC(=O)C=CC(=O)OCC1=CC2
CC(C1)C2(C)C - Molecular Weight1
- 362.50
- 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 | 0.8460 | Relay (1.0) Calculated Property | |
| ΔfG° | -136.73 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -786.01 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 48.29 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 103.67 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.03 | eV | Relay (1.0) Calculated Property |
| log10WS | -6.07 | Relay (1.0) Calculated Property | |
| logPoct/wat | 4.982 | Crippen Calculated Property | |
| McVol | 305.400 | ml/mol | McGowan Calculated Property |
| Pc | 1215.74 | kPa | Joback Calculated Property |
| Inp | 2565.00 | NIST | |
| Tboil | 625.47 | K | Relay (1.0) Calculated Property |
| Tc | 870.84 | K | Relay (1.0) Calculated Property |
| Tfus | 345.87 | K | Relay (1.0) Calculated Property |
| Vc | 1.081 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1009.29; 1126.17] | J/mol×K | [876.96; 1082.67] | 
|
| Cp,gas | 1009.29 | J/mol×K | 876.96 | Joback Calculated Property |
| Cp,gas | 1029.36 | J/mol×K | 911.24 | Joback Calculated Property |
| Cp,gas | 1049.00 | J/mol×K | 945.53 | Joback Calculated Property |
| Cp,gas | 1068.36 | J/mol×K | 979.81 | Joback Calculated Property |
| Cp,gas | 1087.58 | J/mol×K | 1014.10 | Joback Calculated Property |
| Cp,gas | 1106.80 | J/mol×K | 1048.38 | Joback Calculated Property |
| Cp,gas | 1126.17 | J/mol×K | 1082.67 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Fumaric acid, myrtenyl octyl ester.
Sources
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