- InChI
- InChI=1S/C25H47NO3/c1-3-4-5-6-7-8-9-10-11-12-13-16-21-29-25(28)22-26(2)24(27)20-19-23-17-14-15-18-23/h23H,3-22H2,1-2H3
- InChI Key
- GVODMYFJNYSEJR-UHFFFAOYSA-N
- Formula
- C25H47NO3
- SMILES
-
CCCCCCCCCCCCCCOC(=O)CN(C)C(=O)
CCC1CCCC1 - Molecular Weight1
- 409.65
- 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 | 1.0971 | Relay (1.0) Calculated Property | |
| ΔfG° | -132.34 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -934.31 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 63.43 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 124.56 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.87 | eV | Relay (1.0) Calculated Property |
| log10WS | -5.98 | Relay (1.0) Calculated Property | |
| logPoct/wat | 6.659 | Crippen Calculated Property | |
| McVol | 371.240 | ml/mol | McGowan Calculated Property |
| Pc | 879.48 | kPa | Joback Calculated Property |
| Tboil | 673.63 | K | Relay (1.0) Calculated Property |
| Tc | 880.03 | K | Relay (1.0) Calculated Property |
| Tfus | 297.63 | K | Relay (1.0) Calculated Property |
| Vc | 1.401 | m3/kmol | Relay (1.0) Calculated Property |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [535.37; 1327.56] | J/mol×K | [273.00; 1000.00] |
Joback Predicted correlation
|
| Equation | Y = A + B·T + C·T² + D·T³ + E·T⁴ Y is Cp,gas in J/mol×K, T in K | |||
| Coefficient A | -5.82440e+01 | |||
| Coefficient B | 2.55164e+00 | |||
| Coefficient C | -1.46290e-03 | |||
| Coefficient D | 2.97060e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 535.37 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 674.53 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 798.71 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 908.86 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 1005.90 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 1090.79 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 1164.46 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 1227.85 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 1281.91 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 1327.56 | J/mol×K | 1000.00 | Calculated Property |
Similar Compounds
Find more compounds similar to Sarcosine, N-(3-cyclopentylpropionyl)-, tetradecyl ester.
Sources
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