- InChI
- InChI=1S/C18H26O4/c1-12(2)10-21-16(19)5-6-17(20)22-11-13-7-14-9-15(8-13)18(14,3)4/h5-7,12,14-15H,8-11H2,1-4H3/b6-5+
- InChI Key
- ZNIKRHJVVJVRBN-AATRIKPKSA-N
- Formula
- C18H26O4
- SMILES
-
CC(C)COC(=O)C=CC(=O)OCC1=CC2CC
(C1)C2(C)C - Molecular Weight1
- 306.40
- 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° | -172.85 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -611.86 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 34.40 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 73.04 | kJ/mol | Joback Calculated Property |
| log10WS | -3.61 | Crippen Calculated Property | |
| logPoct/wat | 3.277 | Crippen Calculated Property | |
| McVol | 249.040 | ml/mol | McGowan Calculated Property |
| Pc | 1631.17 | kPa | Joback Calculated Property |
| Inp | 2093.00 | NIST | |
| Tboil | 785.00 | K | Joback Calculated Property |
| Tc | 994.36 | K | Joback Calculated Property |
| Tfus | 482.16 | K | Joback Calculated Property |
| Vc | 0.955 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [769.41; 871.21] | J/mol×K | [785.00; 994.36] | 
|
| Cp,gas | 769.41 | J/mol×K | 785.00 | Joback Calculated Property |
| Cp,gas | 787.42 | J/mol×K | 819.89 | Joback Calculated Property |
| Cp,gas | 804.82 | J/mol×K | 854.79 | Joback Calculated Property |
| Cp,gas | 821.77 | J/mol×K | 889.68 | Joback Calculated Property |
| Cp,gas | 838.39 | J/mol×K | 924.58 | Joback Calculated Property |
| Cp,gas | 854.83 | J/mol×K | 959.47 | Joback Calculated Property |
| Cp,gas | 871.21 | J/mol×K | 994.36 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Fumaric acid, isobutyl myrtenyl ester.
Sources
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