- InChI
- InChI=1S/C25H41ClO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-19-22-28-25(27)23-20-17-18-21-24(23)26/h17-18,20-21H,2-16,19,22H2,1H3
- InChI Key
- BVHRECHWYGIHRJ-UHFFFAOYSA-N
- Formula
- C25H41ClO2
- SMILES
-
CCCCCCCCCCCCCCCCCCOC(=O)c1cccc
c1Cl - Molecular Weight1
- 409.05
- CAS
- 70153-10-5
- 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 | 1.1332 | Relay (... Calculated Property | |
| ΔfG° | 16.55 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -678.47 | kJ/mol | Relay (... Calculated Property |
| ΔfusH° | 61.14 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 125.88 | kJ/mol | Relay (... Calculated Property |
| IE | 9.35 | eV | Relay (... Calculated Property |
| log10WS | -8.59 | Relay (... Calculated Property | |
| logPoct/wat | 8.758 | Crippen Calculated Property | |
| McVol | 359.030 | ml/mol | McGowan Calculated Property |
| Pc | 922.18 | kPa | Joback Calculated Property |
| Inp | [2996.70; 2996.70] |
|
|
| Inp | 2996.70 | NIST | |
| Inp | 2996.70 | NIST | |
| Tboil | 660.61 | K | Relay (... Calculated Property |
| Tc | 878.12 | K | Relay (... Calculated Property |
| Tfus | 308.68 | K | Relay (... Calculated Property |
| Vc | 1.364 | m3/kmol | Relay (... Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1160.65; 1254.08] | J/mol×K | [916.78; 1122.97] |
|
| Cp,gas | 1160.65 | J/mol×K | 916.78 | Joback Calculated Property |
| Cp,gas | 1179.15 | J/mol×K | 951.14 | Joback Calculated Property |
| Cp,gas | 1196.41 | J/mol×K | 985.51 | Joback Calculated Property |
| Cp,gas | 1212.48 | J/mol×K | 1019.87 | Joback Calculated Property |
| Cp,gas | 1227.40 | J/mol×K | 1054.24 | Joback Calculated Property |
| Cp,gas | 1241.25 | J/mol×K | 1088.60 | Joback Calculated Property |
| Cp,gas | 1254.08 | J/mol×K | 1122.97 | Joback Calculated Property |
| η | [0.0000320; 0.0004967] | Pa×s | [512.53; 916.78] |
|
| η | 0.0004967 | Pa×s | 512.53 | Joback Calculated Property |
| η | 0.0002412 | Pa×s | 579.90 | Joback Calculated Property |
| η | 0.0001362 | Pa×s | 647.28 | Joback Calculated Property |
| η | 0.0000856 | Pa×s | 714.65 | Joback Calculated Property |
| η | 0.0000583 | Pa×s | 782.03 | Joback Calculated Property |
| η | 0.0000422 | Pa×s | 849.40 | Joback Calculated Property |
| η | 0.0000320 | Pa×s | 916.78 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 2-Chlorobenzoic acid, octadecyl ester.
Sources
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