- InChI
- InChI=1S/C25H45ClO4/c1-2-3-4-5-6-7-8-9-11-14-17-22-29-24(27)19-20-25(28)30-23-18-15-12-10-13-16-21-26/h19-20H,2-18,21-23H2,1H3/b20-19+
- InChI Key
- KXJLNMQRVDAJCN-FMQUCBEESA-N
- Formula
- C25H45ClO4
- SMILES
-
CCCCCCCCCCCCCOC(=O)C=CC(=O)OCC
CCCCCCCl - Molecular Weight1
- 445.07
- 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 | 1.2404 | Relay (1.0) Calculated Property | |
| ΔfG° | -239.93 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -1104.91 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 70.48 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 129.91 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 10.28 | eV | Relay (1.0) Calculated Property |
| log10WS | -7.99 | Relay (1.0) Calculated Property | |
| logPoct/wat | 7.519 | Crippen Calculated Property | |
| McVol | 385.930 | ml/mol | McGowan Calculated Property |
| Pc | 811.22 | kPa | Joback Calculated Property |
| Inp | [3222.00; 3222.00] |
|
|
| Inp | 3222.00 | NIST | |
| Inp | 3222.00 | NIST | |
| Tboil | 654.17 | K | Relay (1.0) Calculated Property |
| Tc | 845.92 | K | Relay (1.0) Calculated Property |
| Tfus | 317.61 | K | Relay (1.0) Calculated Property |
| Vc | 1.455 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1283.75; 1379.04] | J/mol×K | [965.57; 1186.60] |
|
| Cp,gas | 1283.75 | J/mol×K | 965.57 | Joback Calculated Property |
| Cp,gas | 1303.05 | J/mol×K | 1002.41 | Joback Calculated Property |
| Cp,gas | 1320.89 | J/mol×K | 1039.25 | Joback Calculated Property |
| Cp,gas | 1337.34 | J/mol×K | 1076.09 | Joback Calculated Property |
| Cp,gas | 1352.48 | J/mol×K | 1112.93 | Joback Calculated Property |
| Cp,gas | 1366.35 | J/mol×K | 1149.76 | Joback Calculated Property |
| Cp,gas | 1379.04 | J/mol×K | 1186.60 | Joback Calculated Property |
| η | [0.0000185; 0.0003323] | Pa×s | [540.67; 965.57] |
|
| η | 0.0003323 | Pa×s | 540.67 | Joback Calculated Property |
| η | 0.0001554 | Pa×s | 611.49 | Joback Calculated Property |
| η | 0.0000851 | Pa×s | 682.30 | Joback Calculated Property |
| η | 0.0000522 | Pa×s | 753.12 | Joback Calculated Property |
| η | 0.0000348 | Pa×s | 823.94 | Joback Calculated Property |
| η | 0.0000247 | Pa×s | 894.75 | Joback Calculated Property |
| η | 0.0000185 | Pa×s | 965.57 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Fumaric acid, 8-chlorooctyl tridecyl ester.
Sources
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