- InChI
- InChI=1S/C13H22O4/c1-5-9-16-12(14)7-8-13(15)17-11(6-2)10(3)4/h7-8,10-11H,5-6,9H2,1-4H3/b8-7+
- InChI Key
- RUIRBMCGUFVVHS-BQYQJAHWSA-N
- Formula
- C13H22O4
- SMILES
- CCCOC(=O)C=CC(=O)OC(CC)C(C)C
- Molecular Weight1
- 242.31
- ω : Acentric Factor.
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- η : Dynamic viscosity (Pa×s).
- 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 | 0.6890 | Relay (1.0) Calculated Property | |
| ΔfG° | -333.92 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -859.05 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 28.16 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 72.24 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.91 | eV | Relay (1.0) Calculated Property |
| log10WS | -3.52 | Relay (1.0) Calculated Property | |
| logPoct/wat | 2.474 | Crippen Calculated Property | |
| McVol | 204.610 | ml/mol | McGowan Calculated Property |
| Pc | 1880.53 | kPa | Joback Calculated Property |
| Inp | [1566.00; 1566.00] |
|
|
| Inp | 1566.00 | NIST | |
| Inp | 1566.00 | NIST | |
| Tboil | 537.28 | K | Relay (1.0) Calculated Property |
| Tc | 693.82 | K | Relay (1.0) Calculated Property |
| Tfus | 252.68 | K | Relay (1.0) Calculated Property |
| Vc | 0.730 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [547.81; 627.73] | J/mol×K | [652.70; 840.76] |
|
| Cp,gas | 547.81 | J/mol×K | 652.70 | Joback Calculated Property |
| Cp,gas | 562.99 | J/mol×K | 684.04 | Joback Calculated Property |
| Cp,gas | 577.41 | J/mol×K | 715.39 | Joback Calculated Property |
| Cp,gas | 591.08 | J/mol×K | 746.73 | Joback Calculated Property |
| Cp,gas | 604.02 | J/mol×K | 778.07 | Joback Calculated Property |
| Cp,gas | 616.23 | J/mol×K | 809.41 | Joback Calculated Property |
| Cp,gas | 627.73 | J/mol×K | 840.76 | Joback Calculated Property |
| η | [0.0001003; 0.0023733] | Pa×s | [345.51; 652.70] |
|
| η | 0.0023733 | Pa×s | 345.51 | Joback Calculated Property |
| η | 0.0009966 | Pa×s | 396.71 | Joback Calculated Property |
| η | 0.0005103 | Pa×s | 447.91 | Joback Calculated Property |
| η | 0.0002998 | Pa×s | 499.11 | Joback Calculated Property |
| η | 0.0001944 | Pa×s | 550.30 | Joback Calculated Property |
| η | 0.0001357 | Pa×s | 601.50 | Joback Calculated Property |
| η | 0.0001003 | Pa×s | 652.70 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Fumaric acid, 2-methylpent-3-yl propyl ester.
Sources
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