- InChI
- InChI=1S/C26H49NO3/c1-3-4-5-6-7-8-9-10-11-12-13-14-17-22-30-26(29)23-27(2)25(28)21-20-24-18-15-16-19-24/h24H,3-23H2,1-2H3
- InChI Key
- UKSCYKXLADVDCX-UHFFFAOYSA-N
- Formula
- C26H49NO3
- SMILES
-
CCCCCCCCCCCCCCCOC(=O)CN(C)C(=O
)CCC1CCCC1 - Molecular Weight1
- 423.68
- 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 | 1.1324 | Relay (1.0) Calculated Property | |
| ΔfG° | -123.92 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -955.29 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 66.02 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 128.55 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.91 | eV | Relay (1.0) Calculated Property |
| log10WS | -6.31 | Relay (1.0) Calculated Property | |
| logPoct/wat | 7.050 | Crippen Calculated Property | |
| McVol | 385.330 | ml/mol | McGowan Calculated Property |
| Pc | 831.46 | kPa | Joback Calculated Property |
| Tboil | 680.04 | K | Relay (1.0) Calculated Property |
| Tc | 886.76 | K | Relay (1.0) Calculated Property |
| Tfus | 300.08 | K | Relay (1.0) Calculated Property |
| Vc | 1.455 | m3/kmol | Relay (1.0) Calculated Property |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [556.58; 1379.15] | 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 | -5.91530e+01 | |||
| Coefficient B | 2.64664e+00 | |||
| Coefficient C | -1.51730e-03 | |||
| Coefficient D | 3.08960e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 556.58 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 700.95 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 829.79 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 944.08 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 1044.81 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 1132.95 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 1209.48 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 1275.37 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 1331.60 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 1379.15 | J/mol×K | 1000.00 | Calculated Property |
Similar Compounds
Find more compounds similar to Sarcosine, N-(3-cyclopentylpropionyl)-, pentadecyl ester.
Sources
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