- InChI
- InChI=1S/C28H44F3NO3/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-19-22-35-26(33)23-32(2)27(34)24-20-17-18-21-25(24)28(29,30)31/h17-18,20-21H,3-16,19,22-23H2,1-2H3
- InChI Key
- PBQJSQSEIVZRBI-UHFFFAOYSA-N
- Formula
- C28H44F3NO3
- SMILES
-
CCCCCCCCCCCCCCCCCOC(=O)CN(C)C(
=O)c1ccccc1C(F)(F)F - Molecular Weight1
- 499.65
- 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).
- 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 | 1.2429 | Relay (1.0) Calculated Property | |
| ΔfG° | -545.99 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -1407.42 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 71.16 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 129.21 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.24 | eV | Relay (1.0) Calculated Property |
| log10WS | -7.66 | Relay (1.0) Calculated Property | |
| logPoct/wat | 8.192 | Crippen Calculated Property | |
| McVol | 405.920 | ml/mol | McGowan Calculated Property |
| Pc | 772.03 | kPa | Joback Calculated Property |
| Tboil | 696.61 | K | Relay (1.0) Calculated Property |
| Tc | 893.20 | K | Relay (1.0) Calculated Property |
| Tfus | 334.13 | K | Relay (1.0) Calculated Property |
| Vc | 1.523 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1404.15; 1501.32] | J/mol×K | [1008.88; 1244.45] | 
|
| Cp,gas | 1404.15 | J/mol×K | 1008.88 | Joback Calculated Property |
| Cp,gas | 1423.49 | J/mol×K | 1048.14 | Joback Calculated Property |
| Cp,gas | 1441.39 | J/mol×K | 1087.40 | Joback Calculated Property |
| Cp,gas | 1457.98 | J/mol×K | 1126.66 | Joback Calculated Property |
| Cp,gas | 1473.41 | J/mol×K | 1165.92 | Joback Calculated Property |
| Cp,gas | 1487.81 | J/mol×K | 1205.18 | Joback Calculated Property |
| Cp,gas | 1501.32 | J/mol×K | 1244.45 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Sarcosine, N-(2-trifluoromethylbenzoyl)-, heptadecyl ester.
Sources
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