- InChI
- InChI=1S/C13H15F3O3/c1-7(2)4-5-19-13(17)8-6-9(14)11(16)12(18-3)10(8)15/h6-7H,4-5H2,1-3H3
- InChI Key
- JYPKDBYMJHSICM-UHFFFAOYSA-N
- Formula
- C13H15F3O3
- SMILES
-
COc1c(F)c(F)cc(C(=O)OCCC(C)C)c
1F - Molecular Weight1
- 276.25
- 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).
- 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 |
|---|---|---|---|
| ΔfG° | -793.32 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -1091.63 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 31.60 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 58.18 | kJ/mol | Joback Calculated Property |
| log10WS | -4.26 | Crippen Calculated Property | |
| logPoct/wat | 3.315 | Crippen Calculated Property | |
| McVol | 188.890 | ml/mol | McGowan Calculated Property |
| Pc | 1901.92 | kPa | Joback Calculated Property |
| Inp | 1606.00 | NIST | |
| Tboil | 639.52 | K | Joback Calculated Property |
| Tc | 823.86 | K | Joback Calculated Property |
| Tfus | 393.93 | K | Joback Calculated Property |
| Vc | 0.746 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [492.40; 562.07] | J/mol×K | [639.52; 823.86] | 
|
| Cp,gas | 492.40 | J/mol×K | 639.52 | Joback Calculated Property |
| Cp,gas | 505.56 | J/mol×K | 670.24 | Joback Calculated Property |
| Cp,gas | 518.11 | J/mol×K | 700.97 | Joback Calculated Property |
| Cp,gas | 530.04 | J/mol×K | 731.69 | Joback Calculated Property |
| Cp,gas | 541.35 | J/mol×K | 762.42 | Joback Calculated Property |
| Cp,gas | 552.03 | J/mol×K | 793.14 | Joback Calculated Property |
| Cp,gas | 562.07 | J/mol×K | 823.86 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 3-Methoxy-2,4,5-trifluorobenzoic acid, 3-methylbutyl ester.
Sources
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