- InChI
- InChI=1S/C19H23ClO2/c20-17-4-2-1-3-16(17)18(21)22-6-5-19-10-13-7-14(11-19)9-15(8-13)12-19/h1-4,13-15H,5-12H2
- InChI Key
- DUPQEGSBYNXUSQ-UHFFFAOYSA-N
- Formula
- C19H23ClO2
- SMILES
-
O=C(OCCC12CC3CC(CC(C3)C1)C2)c1
ccccc1Cl - Molecular Weight1
- 318.84
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- 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° | 122.98 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -263.83 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 32.68 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 72.82 | kJ/mol | Joback Calculated Property |
| log10WS | -5.72 | Crippen Calculated Property | |
| logPoct/wat | 5.103 | Crippen Calculated Property | |
| McVol | 241.910 | ml/mol | McGowan Calculated Property |
| Pc | 1906.90 | kPa | Joback Calculated Property |
| Inp | [2427.40; 2427.40] |
|
|
| Inp | 2427.40 | NIST | |
| Inp | 2427.40 | NIST | |
| Tboil | 799.56 | K | Joback Calculated Property |
| Tc | 1038.89 | K | Joback Calculated Property |
| Tfus | 514.87 | K | Joback Calculated Property |
| Vc | 0.924 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [752.97; 867.59] | J/mol×K | [799.56; 1038.89] |
|
| Cp,gas | 752.97 | J/mol×K | 799.56 | Joback Calculated Property |
| Cp,gas | 772.76 | J/mol×K | 839.45 | Joback Calculated Property |
| Cp,gas | 791.91 | J/mol×K | 879.34 | Joback Calculated Property |
| Cp,gas | 810.71 | J/mol×K | 919.22 | Joback Calculated Property |
| Cp,gas | 829.41 | J/mol×K | 959.11 | Joback Calculated Property |
| Cp,gas | 848.28 | J/mol×K | 999.00 | Joback Calculated Property |
| Cp,gas | 867.59 | J/mol×K | 1038.89 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 2-Chlorobenzoic acid, 2-(1-adamantyl)ethyl ester.
Sources
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