- InChI
- InChI=1S/C9H13ClF2O2/c1-6(7-4-2-3-5-7)14-8(13)9(10,11)12/h6-7H,2-5H2,1H3
- InChI Key
- VUZXFKJPYZZSQW-UHFFFAOYSA-N
- Formula
- C9H13ClF2O2
- SMILES
- CC(OC(=O)C(F)(F)Cl)C1CCCC1
- Molecular Weight1
- 226.65
- 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 | 0.3785 | Relay (1.0) Calculated Property | |
| ΔfG° | -573.62 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -912.78 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 15.21 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 55.30 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 10.50 | eV | Relay (1.0) Calculated Property |
| log10WS | -3.17 | Relay (1.0) Calculated Property | |
| logPoct/wat | 2.940 | Crippen Calculated Property | |
| McVol | 150.030 | ml/mol | McGowan Calculated Property |
| Pc | 2613.74 | kPa | Joback Calculated Property |
| Inp | [1110.00; 1110.00] |
|
|
| Inp | 1110.00 | NIST | |
| Inp | 1110.00 | NIST | |
| Tboil | 462.69 | K | Relay (1.0) Calculated Property |
| Tc | 630.08 | K | Relay (1.0) Calculated Property |
| Tfus | 224.73 | K | Relay (1.0) Calculated Property |
| Vc | 0.537 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [358.17; 436.17] | J/mol×K | [529.19; 731.52] |
|
| Cp,gas | 358.17 | J/mol×K | 529.19 | Joback Calculated Property |
| Cp,gas | 373.41 | J/mol×K | 562.91 | Joback Calculated Property |
| Cp,gas | 387.71 | J/mol×K | 596.63 | Joback Calculated Property |
| Cp,gas | 401.09 | J/mol×K | 630.35 | Joback Calculated Property |
| Cp,gas | 413.61 | J/mol×K | 664.07 | Joback Calculated Property |
| Cp,gas | 425.29 | J/mol×K | 697.80 | Joback Calculated Property |
| Cp,gas | 436.17 | J/mol×K | 731.52 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 1-Cyclopentylethanol, chlorodifluoroacetate.
Sources
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