- InChI
- InChI=1S/C26H40F3NO3/c1-3-4-5-6-7-8-9-10-11-12-13-14-17-20-33-24(31)21-30(2)25(32)22-18-15-16-19-23(22)26(27,28)29/h15-16,18-19H,3-14,17,20-21H2,1-2H3
- InChI Key
- YWZXSHHIBQBFGW-UHFFFAOYSA-N
- Formula
- C26H40F3NO3
- SMILES
-
CCCCCCCCCCCCCCCOC(=O)CN(C)C(=O
)c1ccccc1C(F)(F)F - Molecular Weight1
- 471.60
- 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 | 1.1710 | Relay (1.0) Calculated Property | |
| ΔfG° | -562.83 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -1367.78 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 65.98 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 121.44 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.17 | eV | Relay (1.0) Calculated Property |
| log10WS | -7.11 | Relay (1.0) Calculated Property | |
| logPoct/wat | 7.412 | Crippen Calculated Property | |
| McVol | 377.740 | ml/mol | McGowan Calculated Property |
| Pc | 861.50 | kPa | Joback Calculated Property |
| Inp | 3210.00 | NIST | |
| Tboil | 682.72 | K | Relay (1.0) Calculated Property |
| Tc | 878.69 | K | Relay (1.0) Calculated Property |
| Tfus | 330.28 | K | Relay (1.0) Calculated Property |
| Vc | 1.415 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1278.09; 1369.19] | J/mol×K | [963.12; 1181.48] | 
|
| Cp,gas | 1278.09 | J/mol×K | 963.12 | Joback Calculated Property |
| Cp,gas | 1296.14 | J/mol×K | 999.51 | Joback Calculated Property |
| Cp,gas | 1312.91 | J/mol×K | 1035.91 | Joback Calculated Property |
| Cp,gas | 1328.50 | J/mol×K | 1072.30 | Joback Calculated Property |
| Cp,gas | 1343.01 | J/mol×K | 1108.69 | Joback Calculated Property |
| Cp,gas | 1356.54 | J/mol×K | 1145.09 | Joback Calculated Property |
| Cp,gas | 1369.19 | J/mol×K | 1181.48 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Sarcosine, N-(2-trifluoromethylbenzoyl)-, pentadecyl ester.
Sources
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