- InChI
- InChI=1S/C17H27ClO2/c18-5-2-1-3-16(19)20-6-4-17-10-13-7-14(11-17)9-15(8-13)12-17/h13-15H,1-12H2
- InChI Key
- VZIRUWPGJKHWAM-UHFFFAOYSA-N
- Formula
- C17H27ClO2
- SMILES
-
O=C(CCCCCl)OCCC12CC3CC(CC(C3)C
1)C2 - Molecular Weight1
- 298.85
- ω : Acentric Factor.
- 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).
- 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 | 0.6797 | Relay (1.0) Calculated Property | |
| ΔfG° | 3.36 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -667.13 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 33.85 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 92.03 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.44 | eV | Relay (1.0) Calculated Property |
| log10WS | -5.65 | Relay (1.0) Calculated Property | |
| logPoct/wat | 4.545 | Crippen Calculated Property | |
| McVol | 237.490 | ml/mol | McGowan Calculated Property |
| Pc | 1716.03 | kPa | Joback Calculated Property |
| Inp | 2291.40 | NIST | |
| Tboil | 627.40 | K | Relay (1.0) Calculated Property |
| Tc | 875.07 | K | Relay (1.0) Calculated Property |
| Tfus | 408.06 | K | Relay (1.0) Calculated Property |
| Vc | 0.862 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [724.80; 833.20] | J/mol×K | [722.14; 931.08] | 
|
| Cp,gas | 724.80 | J/mol×K | 722.14 | Joback Calculated Property |
| Cp,gas | 744.44 | J/mol×K | 756.96 | Joback Calculated Property |
| Cp,gas | 763.22 | J/mol×K | 791.79 | Joback Calculated Property |
| Cp,gas | 781.31 | J/mol×K | 826.61 | Joback Calculated Property |
| Cp,gas | 798.89 | J/mol×K | 861.43 | Joback Calculated Property |
| Cp,gas | 816.13 | J/mol×K | 896.25 | Joback Calculated Property |
| Cp,gas | 833.20 | J/mol×K | 931.08 | Joback Calculated Property |
Similar Compounds
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Sources
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