- InChI
- InChI=1S/C17H31NO3/c1-3-4-5-8-13-21-17(20)14-18(2)16(19)12-11-15-9-6-7-10-15/h15H,3-14H2,1-2H3
- InChI Key
- ZSZTYULFXLYSOU-UHFFFAOYSA-N
- Formula
- C17H31NO3
- SMILES
-
CCCCCCOC(=O)CN(C)C(=O)CCC1CCCC
1 - Molecular Weight1
- 297.43
- 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 | 0.8111 | Relay (1.0) Calculated Property | |
| ΔfG° | -199.70 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -768.13 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 42.71 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 92.95 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.66 | eV | Relay (1.0) Calculated Property |
| log10WS | -3.26 | Relay (1.0) Calculated Property | |
| logPoct/wat | 3.539 | Crippen Calculated Property | |
| McVol | 258.520 | ml/mol | McGowan Calculated Property |
| Pc | 1474.75 | kPa | Joback Calculated Property |
| Inp | [2285.00; 2285.00] |
|
|
| Inp | 2285.00 | NIST | |
| Inp | 2285.00 | NIST | |
| Tboil | 619.48 | K | Relay (1.0) Calculated Property |
| Tc | 816.80 | K | Relay (1.0) Calculated Property |
| Tfus | 268.72 | K | Relay (1.0) Calculated Property |
| Vc | 0.963 | m3/kmol | Relay (1.0) Calculated Property |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [365.66; 914.83] | 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 | -5.09720e+01 | |||
| Coefficient B | 1.79164e+00 | |||
| Coefficient C | -1.02770e-03 | |||
| Coefficient D | 2.01860e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 365.66 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 463.18 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 550.09 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 627.02 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 694.61 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 753.50 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 804.33 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 847.74 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 884.36 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 914.83 | J/mol×K | 1000.00 | Calculated Property |
Similar Compounds
Find more compounds similar to Sarcosine, N-(3-cyclopentylpropionyl)-, hexyl ester.
Sources
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