- InChI
- InChI=1S/C18H26FNO3/c1-3-4-5-6-7-10-13-23-17(21)14-20(2)18(22)15-11-8-9-12-16(15)19/h8-9,11-12H,3-7,10,13-14H2,1-2H3
- InChI Key
- OMFLLGHOEGMUPS-UHFFFAOYSA-N
- Formula
- C18H26FNO3
- SMILES
-
CCCCCCCCOC(=O)CN(C)C(=O)c1cccc
c1F - Molecular Weight1
- 323.40
- 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 | 0.8808 | Relay (1.0) Calculated Property | |
| ΔfG° | -243.41 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -778.69 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 46.51 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 96.21 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.76 | eV | Relay (1.0) Calculated Property |
| log10WS | -4.66 | Relay (1.0) Calculated Property | |
| logPoct/wat | 3.801 | Crippen Calculated Property | |
| McVol | 261.480 | ml/mol | McGowan Calculated Property |
| Pc | 1516.39 | kPa | Joback Calculated Property |
| Inp | [2367.00; 2367.00] |
|
|
| Inp | 2367.00 | NIST | |
| Inp | 2367.00 | NIST | |
| Tboil | 621.56 | K | Relay (1.0) Calculated Property |
| Tc | 829.72 | K | Relay (1.0) Calculated Property |
| Tfus | 306.70 | K | Relay (1.0) Calculated Property |
| Vc | 0.974 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [781.43; 861.07] | J/mol×K | [784.77; 978.29] |
|
| Cp,gas | 781.43 | J/mol×K | 784.77 | Joback Calculated Property |
| Cp,gas | 797.05 | J/mol×K | 817.02 | Joback Calculated Property |
| Cp,gas | 811.69 | J/mol×K | 849.28 | Joback Calculated Property |
| Cp,gas | 825.37 | J/mol×K | 881.53 | Joback Calculated Property |
| Cp,gas | 838.14 | J/mol×K | 913.78 | Joback Calculated Property |
| Cp,gas | 850.03 | J/mol×K | 946.03 | Joback Calculated Property |
| Cp,gas | 861.07 | J/mol×K | 978.29 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Sarcosine, N-(2-fluorobenzoyl)-, octyl ester.
Sources
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