- InChI
- InChI=1S/C16H23NO3/c1-3-4-12-20-16(19)13-17(2)15(18)11-10-14-8-6-5-7-9-14/h5-9H,3-4,10-13H2,1-2H3
- InChI Key
- SHBIARCZZWJDSP-UHFFFAOYSA-N
- Formula
- C16H23NO3
- SMILES
- CCCCOC(=O)CN(C)C(=O)CCc1ccccc1
- Molecular Weight1
- 277.36
- 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 | 0.7644 | Relay (1.0) Calculated Property | |
| ΔfG° | -132.26 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -520.29 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 40.23 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 93.34 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.41 | eV | Relay (1.0) Calculated Property |
| log10WS | -2.35 | Relay (1.0) Calculated Property | |
| logPoct/wat | 2.421 | Crippen Calculated Property | |
| McVol | 231.530 | ml/mol | McGowan Calculated Property |
| Pc | 1800.03 | kPa | Joback Calculated Property |
| Inp | [2205.00; 2205.00] |
|
|
| Inp | 2205.00 | NIST | |
| Inp | 2205.00 | NIST | |
| Tboil | 611.11 | K | Relay (1.0) Calculated Property |
| Tc | 816.90 | K | Relay (1.0) Calculated Property |
| Tfus | 277.66 | K | Relay (1.0) Calculated Property |
| Vc | 0.857 | m3/kmol | Relay (1.0) Calculated Property |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [320.42; 761.42] | 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 | -2.34840e+01 | |||
| Coefficient B | 1.48604e+00 | |||
| Coefficient C | -8.77100e-04 | |||
| Coefficient D | 1.75960e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 320.42 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 400.26 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 471.09 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 533.47 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 587.96 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 635.10 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 675.46 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 709.60 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 738.06 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 761.42 | J/mol×K | 1000.00 | Calculated Property |
Similar Compounds
Find more compounds similar to Sarcosine, N-(3-phenylpropionyl)-, butyl ester.
Sources
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