- InChI
- InChI=1S/C17H24O4/c1-4-7-20-15(18)5-6-16(19)21-11-12-8-13-10-14(9-12)17(13,2)3/h5-6,8,13-14H,4,7,9-11H2,1-3H3/b6-5+
- InChI Key
- VYODHYVKJAQTRZ-AATRIKPKSA-N
- Formula
- C17H24O4
- SMILES
-
CCCOC(=O)C=CC(=O)OCC1=CC2CC(C1
)C2(C)C - Molecular Weight1
- 292.37
- 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).
- 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 |
|---|---|---|---|
| ΔfG° | -178.83 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -585.94 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 35.34 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 71.20 | kJ/mol | Joback Calculated Property |
| log10WS | -3.44 | Crippen Calculated Property | |
| logPoct/wat | 3.031 | Crippen Calculated Property | |
| McVol | 234.950 | ml/mol | McGowan Calculated Property |
| Pc | 1753.60 | kPa | Joback Calculated Property |
| Inp | 2039.00 | NIST | |
| Tboil | 762.56 | K | Joback Calculated Property |
| Tc | 970.82 | K | Joback Calculated Property |
| Tfus | 485.89 | K | Joback Calculated Property |
| Vc | 0.904 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [711.52; 808.63] | J/mol×K | [762.56; 970.82] | 
|
| Cp,gas | 711.52 | J/mol×K | 762.56 | Joback Calculated Property |
| Cp,gas | 728.79 | J/mol×K | 797.27 | Joback Calculated Property |
| Cp,gas | 745.44 | J/mol×K | 831.98 | Joback Calculated Property |
| Cp,gas | 761.62 | J/mol×K | 866.69 | Joback Calculated Property |
| Cp,gas | 777.46 | J/mol×K | 901.40 | Joback Calculated Property |
| Cp,gas | 793.08 | J/mol×K | 936.11 | Joback Calculated Property |
| Cp,gas | 808.63 | J/mol×K | 970.82 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Fumaric acid, myrtenyl propyl ester.
Sources
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