- InChI
- InChI=1S/C21H23F3O2/c22-21(23,24)18-3-1-2-14(9-18)4-5-19(25)26-13-20-10-15-6-16(11-20)8-17(7-15)12-20/h1-5,9,15-17H,6-8,10-13H2/b5-4+
- InChI Key
- ANIWTKAOBMFSNQ-SNAWJCMRSA-N
- Formula
- C21H23F3O2
- SMILES
-
O=C(C=Cc1cccc(C(F)(F)F)c1)OCC1
2CC3CC(CC(C3)C1)C2 - Molecular Weight1
- 364.40
- 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 | 0.6474 | Relay (1.0) Calculated Property | |
| ΔfG° | -349.62 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -1043.47 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 35.69 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 97.92 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.10 | eV | Relay (1.0) Calculated Property |
| log10WS | -6.85 | Relay (1.0) Calculated Property | |
| logPoct/wat | 5.478 | Crippen Calculated Property | |
| McVol | 258.860 | ml/mol | McGowan Calculated Property |
| Pc | 1588.54 | kPa | Joback Calculated Property |
| Inp | 2393.60 | NIST | |
| Tboil | 675.55 | K | Relay (1.0) Calculated Property |
| Tc | 922.84 | K | Relay (1.0) Calculated Property |
| Tfus | 450.03 | K | Relay (1.0) Calculated Property |
| Vc | 0.944 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [838.74; 950.55] | J/mol×K | [806.63; 1028.71] | 
|
| Cp,gas | 838.74 | J/mol×K | 806.63 | Joback Calculated Property |
| Cp,gas | 857.88 | J/mol×K | 843.64 | Joback Calculated Property |
| Cp,gas | 876.48 | J/mol×K | 880.66 | Joback Calculated Property |
| Cp,gas | 894.78 | J/mol×K | 917.67 | Joback Calculated Property |
| Cp,gas | 913.06 | J/mol×K | 954.68 | Joback Calculated Property |
| Cp,gas | 931.56 | J/mol×K | 991.70 | Joback Calculated Property |
| Cp,gas | 950.55 | J/mol×K | 1028.71 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to trans-(3-Trifluoromethyl)cinnamic acid, 1-adamantylmethyl ester.
Sources
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