- InChI
- InChI=1S/C13H20O4/c1-4-5-9-16-12(14)6-7-13(15)17-10-8-11(2)3/h6-7H,2,4-5,8-10H2,1,3H3/b7-6+
- InChI Key
- CDLNIKGMZNTHKD-VOTSOKGWSA-N
- Formula
- C13H20O4
- SMILES
- C=C(C)CCOC(=O)C=CC(=O)OCCCC
- Molecular Weight1
- 240.30
- 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° | -249.75 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -568.39 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 32.61 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 62.21 | kJ/mol | Joback Calculated Property |
| log10WS | -2.70 | Crippen Calculated Property | |
| logPoct/wat | 2.395 | Crippen Calculated Property | |
| McVol | 200.310 | ml/mol | McGowan Calculated Property |
| Pc | 1932.13 | kPa | Joback Calculated Property |
| Inp | [1662.00; 1662.00] |
|
|
| Inp | 1662.00 | NIST | |
| Inp | 1662.00 | NIST | |
| Tboil | 650.14 | K | Joback Calculated Property |
| Tc | 837.55 | K | Joback Calculated Property |
| Tfus | 359.79 | K | Joback Calculated Property |
| Vc | 0.773 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [524.05; 599.19] | J/mol×K | [650.14; 837.55] |
|
| Cp,gas | 524.05 | J/mol×K | 650.14 | Joback Calculated Property |
| Cp,gas | 538.30 | J/mol×K | 681.37 | Joback Calculated Property |
| Cp,gas | 551.84 | J/mol×K | 712.61 | Joback Calculated Property |
| Cp,gas | 564.69 | J/mol×K | 743.84 | Joback Calculated Property |
| Cp,gas | 576.85 | J/mol×K | 775.08 | Joback Calculated Property |
| Cp,gas | 588.35 | J/mol×K | 806.31 | Joback Calculated Property |
| Cp,gas | 599.19 | J/mol×K | 837.55 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Fumaric acid, butyl 3-methylbut-3-enyl ester.
Sources
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