- InChI
- InChI=1S/C10H19NO3/c1-4-6-7-9(12)11(3)8-10(13)14-5-2/h4-8H2,1-3H3
- InChI Key
- TWVJCKKJOPGBOW-UHFFFAOYSA-N
- Formula
- C10H19NO3
- SMILES
- CCCCC(=O)N(C)CC(=O)OCC
- Molecular Weight1
- 201.27
- 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 | 0.6390 | Relay (1.0) Calculated Property | |
| ΔfG° | -295.19 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -664.16 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 30.64 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 70.72 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.71 | eV | Relay (1.0) Calculated Property |
| log10WS | -0.80 | Relay (1.0) Calculated Property | |
| logPoct/wat | 1.198 | Crippen Calculated Property | |
| McVol | 170.750 | ml/mol | McGowan Calculated Property |
| Pc | 2241.88 | kPa | Joback Calculated Property |
| Inp | [1525.00; 1525.00] |
|
|
| Inp | 1525.00 | NIST | |
| Inp | 1525.00 | NIST | |
| Tboil | 523.21 | K | Relay (1.0) Calculated Property |
| Tc | 701.01 | K | Relay (1.0) Calculated Property |
| Tfus | 252.03 | K | Relay (1.0) Calculated Property |
| Vc | 0.652 | m3/kmol | Relay (1.0) Calculated Property |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [250.39; 570.39] | 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 | 1.58750e+01 | |||
| Coefficient B | 9.94960e-01 | |||
| Coefficient C | -5.19500e-04 | |||
| Coefficient D | 7.90600e-08 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 250.39 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 306.35 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 356.63 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 401.47 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 441.13 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 475.85 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 505.89 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 531.49 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 552.91 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 570.39 | J/mol×K | 1000.00 | Calculated Property |
Similar Compounds
Find more compounds similar to Sarcosine, N-valeryl-, ethyl ester.
Sources
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