- InChI
- InChI=1S/C14H17F3O3/c1-4-5-8(2)7-20-14(18)9-6-10(15)12(17)13(19-3)11(9)16/h6,8H,4-5,7H2,1-3H3
- InChI Key
- RNFXUPMRYFKAQH-UHFFFAOYSA-N
- Formula
- C14H17F3O3
- SMILES
-
CCCC(C)COC(=O)c1cc(F)c(F)c(OC)
c1F - Molecular Weight1
- 290.28
- 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 | 0.7334 | Relay (... Calculated Property | |
| ΔfG° | -784.90 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -1033.61 | kJ/mol | Relay (... Calculated Property |
| ΔfusH° | 34.19 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 73.64 | kJ/mol | Relay (... Calculated Property |
| IE | 8.93 | eV | Relay (... Calculated Property |
| log10WS | -5.16 | Relay (... Calculated Property | |
| logPoct/wat | 3.706 | Crippen Calculated Property | |
| McVol | 202.980 | ml/mol | McGowan Calculated Property |
| Pc | 1752.14 | kPa | Joback Calculated Property |
| Inp | 1689.00 | NIST | |
| Tboil | 552.82 | K | Relay (... Calculated Property |
| Tc | 743.20 | K | Relay (... Calculated Property |
| Tfus | 267.74 | K | Relay (... Calculated Property |
| Vc | 0.749 | m3/kmol | Relay (... Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [543.87; 616.45] | J/mol×K | [662.40; 845.44] | 
|
| Cp,gas | 543.87 | J/mol×K | 662.40 | Joback Calculated Property |
| Cp,gas | 557.64 | J/mol×K | 692.91 | Joback Calculated Property |
| Cp,gas | 570.74 | J/mol×K | 723.41 | Joback Calculated Property |
| Cp,gas | 583.18 | J/mol×K | 753.92 | Joback Calculated Property |
| Cp,gas | 594.94 | J/mol×K | 784.42 | Joback Calculated Property |
| Cp,gas | 606.04 | J/mol×K | 814.93 | Joback Calculated Property |
| Cp,gas | 616.45 | J/mol×K | 845.44 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 3-Methoxy-2,4,5-trifluorobenzoic acid, 2-methylpentyl ester.
Sources
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