- InChI
- InChI=1S/C14H24O4/c1-6-12(11(4)5)18-14(16)8-7-13(15)17-9-10(2)3/h7-8,10-12H,6,9H2,1-5H3/b8-7+
- InChI Key
- MUZZLMBDKAWMGH-BQYQJAHWSA-N
- Formula
- C14H24O4
- SMILES
-
CCC(OC(=O)C=CC(=O)OCC(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 | 0.7007 | Relay (1.0) Calculated Property | |
| ΔfG° | -327.94 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -896.14 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 27.22 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 73.95 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.92 | eV | Relay (1.0) Calculated Property |
| log10WS | -3.89 | Relay (1.0) Calculated Property | |
| logPoct/wat | 2.720 | Crippen Calculated Property | |
| McVol | 218.700 | ml/mol | McGowan Calculated Property |
| Pc | 1744.82 | kPa | Joback Calculated Property |
| Inp | 1619.00 | NIST | |
| Tboil | 544.65 | K | Relay (1.0) Calculated Property |
| Tc | 699.19 | K | Relay (1.0) Calculated Property |
| Tfus | 260.98 | K | Relay (1.0) Calculated Property |
| Vc | 0.786 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [601.55; 684.98] | J/mol×K | [675.14; 864.61] | 
|
| Cp,gas | 601.55 | J/mol×K | 675.14 | Joback Calculated Property |
| Cp,gas | 617.48 | J/mol×K | 706.72 | Joback Calculated Property |
| Cp,gas | 632.58 | J/mol×K | 738.30 | Joback Calculated Property |
| Cp,gas | 646.87 | J/mol×K | 769.88 | Joback Calculated Property |
| Cp,gas | 660.36 | J/mol×K | 801.46 | Joback Calculated Property |
| Cp,gas | 673.06 | J/mol×K | 833.03 | Joback Calculated Property |
| Cp,gas | 684.98 | J/mol×K | 864.61 | Joback Calculated Property |
| η | [0.0000821; 0.0028493] | Pa×s | [341.78; 675.14] |
|
| η | 0.0028493 | Pa×s | 341.78 | Joback Calculated Property |
| η | 0.0010436 | Pa×s | 397.34 | Joback Calculated Property |
| η | 0.0004891 | Pa×s | 452.90 | Joback Calculated Property |
| η | 0.0002705 | Pa×s | 508.46 | Joback Calculated Property |
| η | 0.0001681 | Pa×s | 564.02 | Joback Calculated Property |
| η | 0.0001138 | Pa×s | 619.58 | Joback Calculated Property |
| η | 0.0000821 | Pa×s | 675.14 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Fumaric acid, isobutyl 2-methylpent-3-yl ester.
Sources
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