- InChI
- InChI=1S/C21H33ClO2/c1-3-4-5-6-7-8-9-10-11-12-15-18(2)24-21(23)19-16-13-14-17-20(19)22/h13-14,16-18H,3-12,15H2,1-2H3
- InChI Key
- BPLSFDFFHWQJEC-UHFFFAOYSA-N
- Formula
- C21H33ClO2
- SMILES
-
CCCCCCCCCCCCC(C)OC(=O)c1ccccc1
Cl - Molecular Weight1
- 352.94
- 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° | -19.57 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -517.53 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 47.26 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 78.43 | kJ/mol | Joback Calculated Property |
| log10WS | -7.95 | Crippen Calculated Property | |
| logPoct/wat | 7.196 | Crippen Calculated Property | |
| McVol | 302.670 | ml/mol | McGowan Calculated Property |
| Pc | 1188.24 | kPa | Joback Calculated Property |
| Inp | [2447.00; 2447.00] |
|
|
| Inp | 2447.00 | NIST | |
| Inp | 2447.00 | NIST | |
| Tboil | 824.82 | K | Joback Calculated Property |
| Tc | 1023.18 | K | Joback Calculated Property |
| Tfus | 452.45 | K | Joback Calculated Property |
| Vc | 1.171 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [916.82; 1006.09] | J/mol×K | [824.82; 1023.18] |
|
| Cp,gas | 916.82 | J/mol×K | 824.82 | Joback Calculated Property |
| Cp,gas | 934.32 | J/mol×K | 857.88 | Joback Calculated Property |
| Cp,gas | 950.71 | J/mol×K | 890.94 | Joback Calculated Property |
| Cp,gas | 966.05 | J/mol×K | 924.00 | Joback Calculated Property |
| Cp,gas | 980.36 | J/mol×K | 957.06 | Joback Calculated Property |
| Cp,gas | 993.70 | J/mol×K | 990.12 | Joback Calculated Property |
| Cp,gas | 1006.09 | J/mol×K | 1023.18 | Joback Calculated Property |
| η | [0.0000523; 0.0008970] | Pa×s | [452.45; 824.82] |
|
| η | 0.0008970 | Pa×s | 452.45 | Joback Calculated Property |
| η | 0.0004199 | Pa×s | 514.51 | Joback Calculated Property |
| η | 0.0002314 | Pa×s | 576.57 | Joback Calculated Property |
| η | 0.0001432 | Pa×s | 638.63 | Joback Calculated Property |
| η | 0.0000965 | Pa×s | 700.70 | Joback Calculated Property |
| η | 0.0000693 | Pa×s | 762.76 | Joback Calculated Property |
| η | 0.0000523 | Pa×s | 824.82 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 2-Chlorobenzoic acid, 2-tetradecyl ester.
Sources
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