- InChI
- InChI=1S/C18H31ClO4/c1-16(2)10-9-15-23-18(21)12-11-17(20)22-14-8-6-4-3-5-7-13-19/h11-12,16H,3-10,13-15H2,1-2H3/b12-11+
- InChI Key
- NBCAIVJHQAZWID-VAWYXSNFSA-N
- Formula
- C18H31ClO4
- SMILES
-
CC(C)CCCOC(=O)C=CC(=O)OCCCCCCC
CCl - Molecular Weight1
- 346.89
- 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° | -301.31 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -808.25 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 48.83 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 77.93 | kJ/mol | Joback Calculated Property |
| log10WS | -4.85 | Crippen Calculated Property | |
| logPoct/wat | 4.645 | Crippen Calculated Property | |
| McVol | 287.300 | ml/mol | McGowan Calculated Property |
| Pc | 1247.73 | kPa | Joback Calculated Property |
| Inp | 2461.00 | NIST | |
| Tboil | 804.97 | K | Joback Calculated Property |
| Tc | 994.12 | K | Joback Calculated Property |
| Tfus | 446.78 | K | Joback Calculated Property |
| Vc | 1.115 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [856.22; 939.15] | J/mol×K | [804.97; 994.12] | 
|
| Cp,gas | 856.22 | J/mol×K | 804.97 | Joback Calculated Property |
| Cp,gas | 872.31 | J/mol×K | 836.49 | Joback Calculated Property |
| Cp,gas | 887.47 | J/mol×K | 868.02 | Joback Calculated Property |
| Cp,gas | 901.70 | J/mol×K | 899.54 | Joback Calculated Property |
| Cp,gas | 915.05 | J/mol×K | 931.07 | Joback Calculated Property |
| Cp,gas | 927.52 | J/mol×K | 962.59 | Joback Calculated Property |
| Cp,gas | 939.15 | J/mol×K | 994.12 | Joback Calculated Property |
| η | [0.0000489; 0.0009018] | Pa×s | [446.78; 804.97] |
|
| η | 0.0009018 | Pa×s | 446.78 | Joback Calculated Property |
| η | 0.0004166 | Pa×s | 506.48 | Joback Calculated Property |
| η | 0.0002265 | Pa×s | 566.18 | Joback Calculated Property |
| η | 0.0001383 | Pa×s | 625.88 | Joback Calculated Property |
| η | 0.0000920 | Pa×s | 685.57 | Joback Calculated Property |
| η | 0.0000654 | Pa×s | 745.27 | Joback Calculated Property |
| η | 0.0000489 | Pa×s | 804.97 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Fumaric acid, 8-chlorooctyl isohexyl ester.
Sources
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