- InChI
- InChI=1S/C14H22O4/c1-4-5-6-10-17-13(15)7-8-14(16)18-11-9-12(2)3/h7-8H,2,4-6,9-11H2,1,3H3/b8-7+
- InChI Key
- MMZCQQBYBOOSBC-BQYQJAHWSA-N
- Formula
- C14H22O4
- SMILES
- C=C(C)CCOC(=O)C=CC(=O)OCCCCC
- Molecular Weight1
- 254.32
- 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° | -241.33 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -589.03 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 35.20 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 64.44 | kJ/mol | Joback Calculated Property |
| log10WS | -3.12 | Crippen Calculated Property | |
| logPoct/wat | 2.785 | Crippen Calculated Property | |
| McVol | 214.400 | ml/mol | McGowan Calculated Property |
| Pc | 1778.84 | kPa | Joback Calculated Property |
| Inp | 1773.00 | NIST | |
| Tboil | 673.02 | K | Joback Calculated Property |
| Tc | 858.99 | K | Joback Calculated Property |
| Tfus | 371.06 | K | Joback Calculated Property |
| Vc | 0.830 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [576.58; 654.37] | J/mol×K | [673.02; 858.99] | 
|
| Cp,gas | 576.58 | J/mol×K | 673.02 | Joback Calculated Property |
| Cp,gas | 591.35 | J/mol×K | 704.02 | Joback Calculated Property |
| Cp,gas | 605.38 | J/mol×K | 735.01 | Joback Calculated Property |
| Cp,gas | 618.68 | J/mol×K | 766.01 | Joback Calculated Property |
| Cp,gas | 631.26 | J/mol×K | 797.00 | Joback Calculated Property |
| Cp,gas | 643.15 | J/mol×K | 828.00 | Joback Calculated Property |
| Cp,gas | 654.37 | J/mol×K | 858.99 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Fumaric acid, 3-methylbut-3-enyl pentyl ester.
Sources
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