- InChI
- InChI=1S/C18H31ClO4/c1-2-3-4-10-15-22-17(20)12-13-18(21)23-16-11-8-6-5-7-9-14-19/h12-13H,2-11,14-16H2,1H3/b13-12+
- InChI Key
- FXMZBPMEEOHGHL-OUKQBFOZSA-N
- Formula
- C18H31ClO4
- SMILES
-
CCCCCCOC(=O)C=CC(=O)OCCCCCCCCC
l - Molecular Weight1
- 346.89
- 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 | 0.9945 | Relay (1.0) Calculated Property | |
| ΔfG° | -298.87 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -961.06 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 52.35 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 102.42 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 10.13 | eV | Relay (1.0) Calculated Property |
| log10WS | -5.85 | Relay (1.0) Calculated Property | |
| logPoct/wat | 4.789 | Crippen Calculated Property | |
| McVol | 287.300 | ml/mol | McGowan Calculated Property |
| Pc | 1240.71 | kPa | Joback Calculated Property |
| Inp | 2505.00 | NIST | |
| Tboil | 607.61 | K | Relay (1.0) Calculated Property |
| Tc | 796.52 | K | Relay (1.0) Calculated Property |
| Tfus | 294.79 | K | Relay (1.0) Calculated Property |
| Vc | 1.068 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [855.70; 938.28] | J/mol×K | [805.41; 993.22] | 
|
| Cp,gas | 855.70 | J/mol×K | 805.41 | Joback Calculated Property |
| Cp,gas | 871.68 | J/mol×K | 836.71 | Joback Calculated Property |
| Cp,gas | 886.75 | J/mol×K | 868.01 | Joback Calculated Property |
| Cp,gas | 900.91 | J/mol×K | 899.31 | Joback Calculated Property |
| Cp,gas | 914.21 | J/mol×K | 930.62 | Joback Calculated Property |
| Cp,gas | 926.66 | J/mol×K | 961.92 | Joback Calculated Property |
| Cp,gas | 938.28 | J/mol×K | 993.22 | Joback Calculated Property |
| η | [0.0000532; 0.0007679] | Pa×s | [461.78; 805.41] |
|
| η | 0.0007679 | Pa×s | 461.78 | Joback Calculated Property |
| η | 0.0003850 | Pa×s | 519.05 | Joback Calculated Property |
| η | 0.0002214 | Pa×s | 576.32 | Joback Calculated Property |
| η | 0.0001407 | Pa×s | 633.60 | Joback Calculated Property |
| η | 0.0000964 | Pa×s | 690.87 | Joback Calculated Property |
| η | 0.0000700 | Pa×s | 748.14 | Joback Calculated Property |
| η | 0.0000532 | Pa×s | 805.41 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Fumaric acid, 8-chlorooctyl hexyl ester.
Sources
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