- InChI
- InChI=1S/C22H35ClO2/c1-3-5-7-9-10-12-16-19(15-11-8-6-4-2)25-22(24)20-17-13-14-18-21(20)23/h13-14,17-19H,3-12,15-16H2,1-2H3
- InChI Key
- JATVRVHMGHMRDP-UHFFFAOYSA-N
- Formula
- C22H35ClO2
- SMILES
-
CCCCCCCCC(CCCCCC)OC(=O)c1ccccc
1Cl - Molecular Weight1
- 366.96
- 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 | 0.9684 | Relay (... Calculated Property | |
| ΔfG° | -11.15 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -615.58 | kJ/mol | Relay (... Calculated Property |
| ΔfusH° | 49.85 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 107.93 | kJ/mol | Relay (... Calculated Property |
| IE | 9.15 | eV | Relay (... Calculated Property |
| log10WS | -7.40 | Relay (... Calculated Property | |
| logPoct/wat | 7.586 | Crippen Calculated Property | |
| McVol | 316.760 | ml/mol | McGowan Calculated Property |
| Pc | 1113.34 | kPa | Joback Calculated Property |
| Inp | [2461.00; 2461.00] |
|
|
| Inp | 2461.00 | NIST | |
| Inp | 2461.00 | NIST | |
| Tboil | 635.70 | K | Relay (... Calculated Property |
| Tc | 853.43 | K | Relay (... Calculated Property |
| Tfus | 272.58 | K | Relay (... Calculated Property |
| Vc | 1.179 | m3/kmol | Relay (... Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [976.83; 1067.03] | J/mol×K | [847.70; 1046.95] |
|
| Cp,gas | 976.83 | J/mol×K | 847.70 | Joback Calculated Property |
| Cp,gas | 994.55 | J/mol×K | 880.91 | Joback Calculated Property |
| Cp,gas | 1011.14 | J/mol×K | 914.12 | Joback Calculated Property |
| Cp,gas | 1026.64 | J/mol×K | 947.33 | Joback Calculated Property |
| Cp,gas | 1041.09 | J/mol×K | 980.54 | Joback Calculated Property |
| Cp,gas | 1054.54 | J/mol×K | 1013.74 | Joback Calculated Property |
| Cp,gas | 1067.03 | J/mol×K | 1046.95 | Joback Calculated Property |
| η | [0.0000454; 0.0008036] | Pa×s | [463.72; 847.70] |
|
| η | 0.0008036 | Pa×s | 463.72 | Joback Calculated Property |
| η | 0.0003724 | Pa×s | 527.72 | Joback Calculated Property |
| η | 0.0002038 | Pa×s | 591.71 | Joback Calculated Property |
| η | 0.0001254 | Pa×s | 655.71 | Joback Calculated Property |
| η | 0.0000842 | Pa×s | 719.71 | Joback Calculated Property |
| η | 0.0000603 | Pa×s | 783.70 | Joback Calculated Property |
| η | 0.0000454 | Pa×s | 847.70 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 2-Chlorobenzoic acid, 7-pentadecyl ester.
Sources
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