- InChI
- InChI=1S/C13H22O4/c1-4-6-7-11(3)17-13(15)9-8-12(14)16-10-5-2/h8-9,11H,4-7,10H2,1-3H3/b9-8+
- InChI Key
- QVBHBTSFOKWCJD-CMDGGOBGSA-N
- Formula
- C13H22O4
- SMILES
- CCCCC(C)OC(=O)C=CC(=O)OCCC
- 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 | 0.7303 | Relay (1.0) Calculated Property | |
| ΔfG° | -331.48 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -855.33 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 31.68 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 73.03 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.99 | eV | Relay (1.0) Calculated Property |
| log10WS | -3.77 | Relay (1.0) Calculated Property | |
| logPoct/wat | 2.618 | Crippen Calculated Property | |
| McVol | 204.610 | ml/mol | McGowan Calculated Property |
| Pc | 1867.55 | kPa | Joback Calculated Property |
| Inp | 1604.00 | NIST | |
| Tboil | 530.76 | K | Relay (1.0) Calculated Property |
| Tc | 696.58 | K | Relay (1.0) Calculated Property |
| Tfus | 244.72 | K | Relay (1.0) Calculated Property |
| Vc | 0.755 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [547.34; 626.08] | J/mol×K | [653.14; 838.21] | 
|
| Cp,gas | 547.34 | J/mol×K | 653.14 | Joback Calculated Property |
| Cp,gas | 562.25 | J/mol×K | 683.98 | Joback Calculated Property |
| Cp,gas | 576.43 | J/mol×K | 714.83 | Joback Calculated Property |
| Cp,gas | 589.89 | J/mol×K | 745.67 | Joback Calculated Property |
| Cp,gas | 602.64 | J/mol×K | 776.52 | Joback Calculated Property |
| Cp,gas | 614.70 | J/mol×K | 807.36 | Joback Calculated Property |
| Cp,gas | 626.08 | J/mol×K | 838.21 | Joback Calculated Property |
| η | [0.0001079; 0.0018471] | Pa×s | [360.51; 653.14] |
|
| η | 0.0018471 | Pa×s | 360.51 | Joback Calculated Property |
| η | 0.0008679 | Pa×s | 409.28 | Joback Calculated Property |
| η | 0.0004789 | Pa×s | 458.05 | Joback Calculated Property |
| η | 0.0002963 | Pa×s | 506.82 | Joback Calculated Property |
| η | 0.0001995 | Pa×s | 555.60 | Joback Calculated Property |
| η | 0.0001431 | Pa×s | 604.37 | Joback Calculated Property |
| η | 0.0001079 | Pa×s | 653.14 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Fumaric acid, 2-hexyl propyl ester.
Sources
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