- InChI
- InChI=1S/C12H17ClF2O2/c1-8(2)5-6-10(9(3)4)7-17-11(16)12(13,14)15/h5,10H,3,6-7H2,1-2,4H3
- InChI Key
- AYASINNVPARBCO-UHFFFAOYSA-N
- Formula
- C12H17ClF2O2
- SMILES
-
C=C(C)C(CC=C(C)C)COC(=O)C(F)(F
)Cl - Molecular Weight1
- 266.71
- 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).
- 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 | 0.4302 | Relay (1.0) Calculated Property | |
| ΔfG° | -433.95 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -850.84 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 25.34 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 64.94 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.21 | eV | Relay (1.0) Calculated Property |
| log10WS | -4.11 | Relay (1.0) Calculated Property | |
| logPoct/wat | 3.910 | Crippen Calculated Property | |
| McVol | 194.560 | ml/mol | McGowan Calculated Property |
| Pc | 1857.91 | kPa | Joback Calculated Property |
| Tboil | 500.12 | K | Relay (1.0) Calculated Property |
| Tc | 639.19 | K | Relay (1.0) Calculated Property |
| Tfus | 228.48 | K | Relay (1.0) Calculated Property |
| Vc | 0.669 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [475.39; 549.12] | J/mol×K | [583.15; 770.17] | 
|
| Cp,gas | 475.39 | J/mol×K | 583.15 | Joback Calculated Property |
| Cp,gas | 489.58 | J/mol×K | 614.32 | Joback Calculated Property |
| Cp,gas | 502.95 | J/mol×K | 645.49 | Joback Calculated Property |
| Cp,gas | 515.55 | J/mol×K | 676.66 | Joback Calculated Property |
| Cp,gas | 527.42 | J/mol×K | 707.83 | Joback Calculated Property |
| Cp,gas | 538.60 | J/mol×K | 739.00 | Joback Calculated Property |
| Cp,gas | 549.12 | J/mol×K | 770.17 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to (.+/-.)-Lavandulol, chlorodifluoroacetate.
Sources
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