- InChI
- InChI=1S/C18H26O4/c1-4-5-8-21-16(19)6-7-17(20)22-12-13-9-14-11-15(10-13)18(14,2)3/h6-7,9,14-15H,4-5,8,10-12H2,1-3H3/b7-6+
- InChI Key
- FGLVSEZGGYEAAD-VOTSOKGWSA-N
- Formula
- C18H26O4
- SMILES
-
CCCCOC(=O)C=CC(=O)OCC1=CC2CC(C
1)C2(C)C - Molecular Weight1
- 306.40
- 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 | 0.6917 | Relay (... Calculated Property | |
| ΔfG° | -170.41 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -702.06 | kJ/mol | Relay (... Calculated Property |
| ΔfusH° | 37.93 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 90.47 | kJ/mol | Relay (... Calculated Property |
| IE | 9.02 | eV | Relay (... Calculated Property |
| log10WS | -4.83 | Relay (... Calculated Property | |
| logPoct/wat | 3.421 | Crippen Calculated Property | |
| McVol | 249.040 | ml/mol | McGowan Calculated Property |
| Pc | 1620.68 | kPa | Joback Calculated Property |
| Inp | [2140.00; 2140.00] |
|
|
| Inp | 2140.00 | NIST | |
| Inp | 2140.00 | NIST | |
| Tboil | 592.91 | K | Relay (... Calculated Property |
| Tc | 831.40 | K | Relay (... Calculated Property |
| Tfus | 341.11 | K | Relay (... Calculated Property |
| Vc | 0.863 | m3/kmol | Relay (... Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [768.89; 869.52] | J/mol×K | [785.44; 991.95] |
|
| Cp,gas | 768.89 | J/mol×K | 785.44 | Joback Calculated Property |
| Cp,gas | 786.66 | J/mol×K | 819.86 | Joback Calculated Property |
| Cp,gas | 803.85 | J/mol×K | 854.28 | Joback Calculated Property |
| Cp,gas | 820.60 | J/mol×K | 888.70 | Joback Calculated Property |
| Cp,gas | 837.04 | J/mol×K | 923.12 | Joback Calculated Property |
| Cp,gas | 853.30 | J/mol×K | 957.54 | Joback Calculated Property |
| Cp,gas | 869.52 | J/mol×K | 991.95 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Fumaric acid, butyl myrtenyl ester.
Sources
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