- InChI
- InChI=1S/C22H35ClO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-16-19-25-22(24)20-17-14-15-18-21(20)23/h14-15,17-18H,2-13,16,19H2,1H3
- InChI Key
- KHLHBSPALROSMG-UHFFFAOYSA-N
- Formula
- C22H35ClO2
- SMILES
-
CCCCCCCCCCCCCCCOC(=O)c1ccccc1C
l - Molecular Weight1
- 366.96
- 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° | -8.71 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -532.89 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 53.37 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 81.05 | kJ/mol | Joback Calculated Property |
| log10WS | -8.26 | Crippen Calculated Property | |
| logPoct/wat | 7.588 | Crippen Calculated Property | |
| McVol | 316.760 | ml/mol | McGowan Calculated Property |
| Pc | 1107.42 | kPa | Joback Calculated Property |
| Inp | 2688.40 | NIST | |
| Tboil | 848.14 | K | Joback Calculated Property |
| Tc | 1045.97 | K | Joback Calculated Property |
| Tfus | 478.72 | K | Joback Calculated Property |
| Vc | 1.232 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [976.34; 1066.24] | J/mol×K | [848.14; 1045.97] | 
|
| Cp,gas | 976.34 | J/mol×K | 848.14 | Joback Calculated Property |
| Cp,gas | 993.95 | J/mol×K | 881.11 | Joback Calculated Property |
| Cp,gas | 1010.45 | J/mol×K | 914.08 | Joback Calculated Property |
| Cp,gas | 1025.89 | J/mol×K | 947.06 | Joback Calculated Property |
| Cp,gas | 1040.30 | J/mol×K | 980.03 | Joback Calculated Property |
| Cp,gas | 1053.74 | J/mol×K | 1013.00 | Joback Calculated Property |
| Cp,gas | 1066.24 | J/mol×K | 1045.97 | Joback Calculated Property |
| η | [0.0000496; 0.0006960] | Pa×s | [478.72; 848.14] |
|
| η | 0.0006960 | Pa×s | 478.72 | Joback Calculated Property |
| η | 0.0003487 | Pa×s | 540.29 | Joback Calculated Property |
| η | 0.0002012 | Pa×s | 601.86 | Joback Calculated Property |
| η | 0.0001286 | Pa×s | 663.43 | Joback Calculated Property |
| η | 0.0000887 | Pa×s | 725.00 | Joback Calculated Property |
| η | 0.0000648 | Pa×s | 786.57 | Joback Calculated Property |
| η | 0.0000496 | Pa×s | 848.14 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 2-Chlorobenzoic acid, pentadecyl ester.
Sources
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