- InChI
- InChI=1S/C14H24O4/c1-4-6-7-8-12(3)18-14(16)10-9-13(15)17-11-5-2/h9-10,12H,4-8,11H2,1-3H3/b10-9+
- InChI Key
- BITHVIZMCVRERN-MDZDMXLPSA-N
- Formula
- C14H24O4
- SMILES
- CCCCCC(C)OC(=O)/C=C/C(=O)OCCC
- Molecular Weight1
- 256.34
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- η : Dynamic viscosity (Pa×s).
- 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).
- 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).
- 1: Molecular weight from the IUPAC atomic weights tables.
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Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| ΔfH°gas | -877.55 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 37.43 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 82.76 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 10.04 | eV | Relay (1.0) Calculated Property |
| logPoct/wat | 3.008 | Crippen Calculated Property | |
| McVol | 218.700 | ml/mol | McGowan Calculated Property |
| Pc | 1610.29 | kPa | Joback Calculated Property |
| Inp | 1708.00 | NIST | |
| Tboil | 549.90 | K | Relay (1.0) Calculated Property |
| Tc | 717.25 | K | Relay (1.0) Calculated Property |
| Tfus | 259.21 | K | Relay (1.0) Calculated Property |
Cheméo can also estimate Critical Volume, Standard Gibbs free energy of formation, Acentric Factor, Log10 of Water solubility in mol/l for this compound, but they fall outside the models' validated range, so they are not shown here. Open the prediction tool to compute them on demand.
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [588.02; 671.15] | J/mol×K | [640.08; 819.24] | 
|
| Cp,gas | 588.02 | J/mol×K | 640.08 | Joback Calculated Property |
| Cp,gas | 603.87 | J/mol×K | 669.94 | Joback Calculated Property |
| Cp,gas | 618.90 | J/mol×K | 699.80 | Joback Calculated Property |
| Cp,gas | 633.14 | J/mol×K | 729.66 | Joback Calculated Property |
| Cp,gas | 646.58 | J/mol×K | 759.52 | Joback Calculated Property |
| Cp,gas | 659.25 | J/mol×K | 789.38 | Joback Calculated Property |
| Cp,gas | 671.15 | J/mol×K | 819.24 | Joback Calculated Property |
| η | [0.0000786; 0.0041899] | Pa×s | [312.12; 640.08] |
|
| η | 0.0041899 | Pa×s | 312.12 | Joback Calculated Property |
| η | 0.0013181 | Pa×s | 366.78 | Joback Calculated Property |
| η | 0.0005597 | Pa×s | 421.44 | Joback Calculated Property |
| η | 0.0002893 | Pa×s | 476.10 | Joback Calculated Property |
| η | 0.0001713 | Pa×s | 530.76 | Joback Calculated Property |
| η | 0.0001119 | Pa×s | 585.42 | Joback Calculated Property |
| η | 0.0000786 | Pa×s | 640.08 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Fumaric acid, 2-heptyl propyl ester.
Sources
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