- InChI
- InChI=1S/C22H27ClO3/c1-22-11-10-17-16-7-5-15(26-21(25)3-2-12-23)13-14(16)4-6-18(17)19(22)8-9-20(22)24/h5,7,13,17-19H,2-4,6,8-12H2,1H3
- InChI Key
- XPAMBWLTGQHJOC-UHFFFAOYSA-N
- Formula
- C22H27ClO3
- SMILES
-
CC12CCC3c4ccc(OC(=O)CCCCl)cc4C
CC3C1CCC2=O - Molecular Weight1
- 374.90
- 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° | 3.92 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -481.08 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 37.47 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 84.58 | kJ/mol | Joback Calculated Property |
| log10WS | -5.93 | Crippen Calculated Property | |
| logPoct/wat | 5.036 | Crippen Calculated Property | |
| McVol | 285.750 | ml/mol | McGowan Calculated Property |
| Pc | 1558.58 | kPa | Joback Calculated Property |
| Inp | [2718.00; 2718.00] |
|
|
| Inp | 2718.00 | NIST | |
| Inp | 2718.00 | NIST | |
| Tboil | 945.27 | K | Joback Calculated Property |
| Tc | 1189.92 | K | Joback Calculated Property |
| Tfus | 625.90 | K | Joback Calculated Property |
| Vc | 1.091 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [972.80; 1101.32] | J/mol×K | [945.27; 1189.92] |
|
| Cp,gas | 972.80 | J/mol×K | 945.27 | Joback Calculated Property |
| Cp,gas | 994.17 | J/mol×K | 986.05 | Joback Calculated Property |
| Cp,gas | 1015.25 | J/mol×K | 1026.82 | Joback Calculated Property |
| Cp,gas | 1036.28 | J/mol×K | 1067.60 | Joback Calculated Property |
| Cp,gas | 1057.48 | J/mol×K | 1108.37 | Joback Calculated Property |
| Cp,gas | 1079.08 | J/mol×K | 1149.15 | Joback Calculated Property |
| Cp,gas | 1101.32 | J/mol×K | 1189.92 | Joback Calculated Property |
Similar Compounds
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Sources
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