- InChI
- InChI=1S/C23H29F3O3/c1-5-6-7-8-15-12-18(28-21(27)23(24,25)26)20-16-11-14(2)9-10-17(16)22(3,4)29-19(20)13-15/h11-13,16-17H,5-10H2,1-4H3
- InChI Key
- SRIMOVWPMJEATH-UHFFFAOYSA-N
- Formula
- C23H29F3O3
- SMILES
-
CCCCCc1cc(OC(=O)C(F)(F)F)c2c(c
1)OC(C)(C)C1CCC(C)=CC21 - Molecular Weight1
- 410.47
- 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 | 0.7402 | Relay (1.0) Calculated Property | |
| ΔfG° | -570.90 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -1163.98 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 48.47 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 104.09 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 7.93 | eV | Relay (1.0) Calculated Property |
| log10WS | -6.40 | Relay (1.0) Calculated Property | |
| logPoct/wat | 6.498 | Crippen Calculated Property | |
| McVol | 303.770 | ml/mol | McGowan Calculated Property |
| Pc | 1208.99 | kPa | Joback Calculated Property |
| Inp | 2400.00 | NIST | |
| Tboil | 652.53 | K | Relay (1.0) Calculated Property |
| Tc | 857.23 | K | Relay (1.0) Calculated Property |
| Tfus | 346.64 | K | Relay (1.0) Calculated Property |
| Vc | 1.102 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1010.20; 1123.06] | J/mol×K | [886.81; 1099.49] | 
|
| Cp,gas | 1010.20 | J/mol×K | 886.81 | Joback Calculated Property |
| Cp,gas | 1029.54 | J/mol×K | 922.26 | Joback Calculated Property |
| Cp,gas | 1048.45 | J/mol×K | 957.70 | Joback Calculated Property |
| Cp,gas | 1067.09 | J/mol×K | 993.15 | Joback Calculated Property |
| Cp,gas | 1085.63 | J/mol×K | 1028.60 | Joback Calculated Property |
| Cp,gas | 1104.23 | J/mol×K | 1064.04 | Joback Calculated Property |
| Cp,gas | 1123.06 | J/mol×K | 1099.49 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Tetrahydrocannabinol, TFA.
Sources
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