- InChI
- InChI=1S/C14H24O4/c1-10(2)9-17-12(15)7-8-13(16)18-11(3)14(4,5)6/h7-8,10-11H,9H2,1-6H3/b8-7+
- InChI Key
- GDOAQDJHOVUXRA-BQYQJAHWSA-N
- Formula
- C14H24O4
- SMILES
-
CC(C)COC(=O)C=CC(=O)OC(C)C(C)(
C)C - Molecular Weight1
- 256.34
- 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 | 0.6678 | Relay (1.0) Calculated Property | |
| ΔfG° | -322.66 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -898.92 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 23.33 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 71.64 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 10.04 | eV | Relay (1.0) Calculated Property |
| log10WS | -3.98 | Relay (1.0) Calculated Property | |
| logPoct/wat | 2.720 | Crippen Calculated Property | |
| McVol | 218.700 | ml/mol | McGowan Calculated Property |
| Pc | 1760.97 | kPa | Joback Calculated Property |
| Inp | 1585.00 | NIST | |
| Tboil | 531.80 | K | Relay (1.0) Calculated Property |
| Tc | 697.43 | K | Relay (1.0) Calculated Property |
| Tfus | 292.37 | K | Relay (1.0) Calculated Property |
| Vc | 0.783 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [603.73; 687.62] | J/mol×K | [672.35; 867.38] | 
|
| Cp,gas | 603.73 | J/mol×K | 672.35 | Joback Calculated Property |
| Cp,gas | 619.89 | J/mol×K | 704.86 | Joback Calculated Property |
| Cp,gas | 635.14 | J/mol×K | 737.36 | Joback Calculated Property |
| Cp,gas | 649.51 | J/mol×K | 769.87 | Joback Calculated Property |
| Cp,gas | 663.02 | J/mol×K | 802.37 | Joback Calculated Property |
| Cp,gas | 675.71 | J/mol×K | 834.88 | Joback Calculated Property |
| Cp,gas | 687.62 | J/mol×K | 867.38 | Joback Calculated Property |
| η | [0.0000756; 0.0023705] | Pa×s | [359.20; 672.35] |
|
| η | 0.0023705 | Pa×s | 359.20 | Joback Calculated Property |
| η | 0.0009272 | Pa×s | 411.39 | Joback Calculated Property |
| η | 0.0004480 | Pa×s | 463.58 | Joback Calculated Property |
| η | 0.0002508 | Pa×s | 515.78 | Joback Calculated Property |
| η | 0.0001562 | Pa×s | 567.97 | Joback Calculated Property |
| η | 0.0001054 | Pa×s | 620.16 | Joback Calculated Property |
| η | 0.0000756 | Pa×s | 672.35 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Fumaric acid, 3,3-dimethylbut-2-yl isobutyl ester.
Sources
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