- InChI
- InChI=1S/C23H35ClO3/c1-22-11-9-16(27-21(26)4-3-13-24)14-15(22)5-6-17-18-7-8-20(25)23(18,2)12-10-19(17)22/h15-19H,3-14H2,1-2H3
- InChI Key
- CXIUHMPDEUPPPV-UHFFFAOYSA-N
- Formula
- C23H35ClO3
- SMILES
-
CC12CCC3C(CCC4CC(OC(=O)CCCCl)C
CC43C)C1CCC2=O - Molecular Weight1
- 394.98
- 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° | -77.27 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -686.43 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 34.48 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 81.86 | kJ/mol | Joback Calculated Property |
| log10WS | -5.99 | Crippen Calculated Property | |
| logPoct/wat | 5.529 | Crippen Calculated Property | |
| McVol | 312.740 | ml/mol | McGowan Calculated Property |
| Pc | 1326.17 | kPa | Joback Calculated Property |
| Inp | [2673.00; 2673.00] |
|
|
| Inp | 2673.00 | NIST | |
| Inp | 2673.00 | NIST | |
| Tboil | 941.96 | K | Joback Calculated Property |
| Tc | 1183.48 | K | Joback Calculated Property |
| Tfus | 608.51 | K | Joback Calculated Property |
| Vc | 1.185 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1142.21; 1324.20] | J/mol×K | [941.96; 1183.48] |
|
| Cp,gas | 1142.21 | J/mol×K | 941.96 | Joback Calculated Property |
| Cp,gas | 1170.67 | J/mol×K | 982.21 | Joback Calculated Property |
| Cp,gas | 1199.43 | J/mol×K | 1022.47 | Joback Calculated Property |
| Cp,gas | 1228.83 | J/mol×K | 1062.72 | Joback Calculated Property |
| Cp,gas | 1259.21 | J/mol×K | 1102.97 | Joback Calculated Property |
| Cp,gas | 1290.88 | J/mol×K | 1143.22 | Joback Calculated Property |
| Cp,gas | 1324.20 | J/mol×K | 1183.48 | Joback Calculated Property |
Similar Compounds
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Sources
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