- InChI
- InChI=1S/C15H24O4/c1-3-5-7-9-13-19-15(17)11-10-14(16)18-12-8-6-4-2/h4,10-11H,2-3,5-9,12-13H2,1H3/b11-10+
- InChI Key
- NYCIKEPAHUNUNQ-ZHACJKMWSA-N
- Formula
- C15H24O4
- SMILES
- C=CCCCOC(=O)/C=C/C(=O)OCCCCCC
- Molecular Weight1
- 268.35
- 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 | 0.7996 | Relay (1.0) Calculated Property | |
| ΔfG° | -377.26 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -779.58 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 42.27 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 88.24 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.89 | eV | Relay (1.0) Calculated Property |
| log10WS | -4.64 | Relay (1.0) Calculated Property | |
| logPoct/wat | 3.175 | Crippen Calculated Property | |
| McVol | 228.490 | ml/mol | McGowan Calculated Property |
| Pc | 1533.06 | kPa | Joback Calculated Property |
| Inp | [1889.00; 1889.00] |
|
|
| Inp | 1889.00 | NIST | |
| Inp | 1889.00 | NIST | |
| Tboil | 595.64 | K | Relay (1.0) Calculated Property |
| Tc | 747.11 | K | Relay (1.0) Calculated Property |
| Tfus | 259.16 | K | Relay (1.0) Calculated Property |
| Vc | 0.831 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [618.38; 699.45] | J/mol×K | [660.08; 838.13] |
|
| Cp,gas | 618.38 | J/mol×K | 660.08 | Joback Calculated Property |
| Cp,gas | 633.88 | J/mol×K | 689.75 | Joback Calculated Property |
| Cp,gas | 648.56 | J/mol×K | 719.43 | Joback Calculated Property |
| Cp,gas | 662.44 | J/mol×K | 749.10 | Joback Calculated Property |
| Cp,gas | 675.54 | J/mol×K | 778.78 | Joback Calculated Property |
| Cp,gas | 687.87 | J/mol×K | 808.45 | Joback Calculated Property |
| Cp,gas | 699.45 | J/mol×K | 838.13 | Joback Calculated Property |
| η | [0.0000778; 0.0026097] | Pa×s | [336.63; 660.08] |
|
| η | 0.0026097 | Pa×s | 336.63 | Joback Calculated Property |
| η | 0.0009701 | Pa×s | 390.54 | Joback Calculated Property |
| η | 0.0004584 | Pa×s | 444.45 | Joback Calculated Property |
| η | 0.0002548 | Pa×s | 498.35 | Joback Calculated Property |
| η | 0.0001588 | Pa×s | 552.26 | Joback Calculated Property |
| η | 0.0001077 | Pa×s | 606.17 | Joback Calculated Property |
| η | 0.0000778 | Pa×s | 660.08 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Fumaric acid, hexyl pent-4-enyl ester.
Sources
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