- InChI
- InChI=1S/C17H30O4/c1-5-7-10-15(6-2)21-17(19)12-11-16(18)20-13-8-9-14(3)4/h11-12,14-15H,5-10,13H2,1-4H3/b12-11+
- InChI Key
- KTAIWIVXNMHJFR-VAWYXSNFSA-N
- Formula
- C17H30O4
- SMILES
-
CCCCC(CC)OC(=O)C=CC(=O)OCCCC(C
)C - Molecular Weight1
- 298.42
- 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).
- 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 |
|---|---|---|---|
| ΔfG° | -300.24 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -777.15 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 38.52 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 70.93 | kJ/mol | Joback Calculated Property |
| log10WS | -4.39 | Crippen Calculated Property | |
| logPoct/wat | 4.034 | Crippen Calculated Property | |
| McVol | 260.970 | ml/mol | McGowan Calculated Property |
| Pc | 1381.96 | kPa | Joback Calculated Property |
| Inp | [1936.00; 1936.00] |
|
|
| Inp | 1936.00 | NIST | |
| Inp | 1936.00 | NIST | |
| Tboil | 744.22 | K | Joback Calculated Property |
| Tc | 929.08 | K | Joback Calculated Property |
| Tfus | 390.59 | K | Joback Calculated Property |
| Vc | 1.004 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [768.28; 856.15] | J/mol×K | [744.22; 929.08] |
|
| Cp,gas | 768.28 | J/mol×K | 744.22 | Joback Calculated Property |
| Cp,gas | 785.12 | J/mol×K | 775.03 | Joback Calculated Property |
| Cp,gas | 801.06 | J/mol×K | 805.84 | Joback Calculated Property |
| Cp,gas | 816.11 | J/mol×K | 836.65 | Joback Calculated Property |
| Cp,gas | 830.30 | J/mol×K | 867.46 | Joback Calculated Property |
| Cp,gas | 843.63 | J/mol×K | 898.27 | Joback Calculated Property |
| Cp,gas | 856.15 | J/mol×K | 929.08 | Joback Calculated Property |
| η | [0.0000596; 0.0015918] | Pa×s | [390.59; 744.22] |
|
| η | 0.0015918 | Pa×s | 390.59 | Joback Calculated Property |
| η | 0.0006432 | Pa×s | 449.53 | Joback Calculated Property |
| η | 0.0003206 | Pa×s | 508.47 | Joback Calculated Property |
| η | 0.0001847 | Pa×s | 567.40 | Joback Calculated Property |
| η | 0.0001181 | Pa×s | 626.34 | Joback Calculated Property |
| η | 0.0000815 | Pa×s | 685.28 | Joback Calculated Property |
| η | 0.0000596 | Pa×s | 744.22 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Fumaric acid, 3-heptyl isohexyl ester.
Sources
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