- InChI
- InChI=1S/C14H14F5NO3/c1-6(2)5-23-7(21)4-20(3)14(22)8-9(15)11(17)13(19)12(18)10(8)16/h6H,4-5H2,1-3H3
- InChI Key
- CWQBURVXWAFZDT-UHFFFAOYSA-N
- Formula
- C14H14F5NO3
- SMILES
-
CC(C)COC(=O)CN(C)C(=O)c1c(F)c(
F)c(F)c(F)c1F - Molecular Weight1
- 339.26
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- 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).
- 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).
- 1: Molecular weight from the IUPAC atomic weights tables.
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Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| ΔfH°gas | -1291.59 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 43.40 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 79.07 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.36 | eV | Relay (1.0) Calculated Property |
| logPoct/wat | 2.653 | Crippen Calculated Property | |
| McVol | 212.200 | ml/mol | McGowan Calculated Property |
| Pc | 1713.19 | kPa | Joback Calculated Property |
| Tboil | 563.24 | K | Relay (1.0) Calculated Property |
| Tc | 751.10 | K | Relay (1.0) Calculated Property |
| Tfus | 322.04 | K | Relay (1.0) Calculated Property |
Cheméo can also estimate Critical Volume, Standard Gibbs free energy of formation, Acentric Factor, Log10 of Water solubility in mol/l for this compound, but they fall outside the models' validated range, so they are not shown here. Open the prediction tool to compute them on demand.
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [588.93; 651.20] | J/mol×K | [709.81; 888.84] | 
|
| Cp,gas | 588.93 | J/mol×K | 709.81 | Joback Calculated Property |
| Cp,gas | 600.96 | J/mol×K | 739.65 | Joback Calculated Property |
| Cp,gas | 612.31 | J/mol×K | 769.49 | Joback Calculated Property |
| Cp,gas | 623.01 | J/mol×K | 799.32 | Joback Calculated Property |
| Cp,gas | 633.05 | J/mol×K | 829.16 | Joback Calculated Property |
| Cp,gas | 642.44 | J/mol×K | 859.00 | Joback Calculated Property |
| Cp,gas | 651.20 | J/mol×K | 888.84 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Sarcosine, n-pentafluorobenzoyl-, isobutyl ester.
Sources
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