- InChI
- InChI=1S/C7H15NO2/c1-3-4-5(2)6(8)7(9)10/h5-6H,3-4,8H2,1-2H3,(H,9,10)
- InChI Key
- KWSUGULOZFMUDH-UHFFFAOYSA-N
- Formula
- C7H15NO2
- SMILES
- CCCC(C)C(N)C(=O)O
- Molecular Weight1
- 145.20
- 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 | 0.6833 | Relay (1.0) Calculated Property | |
| ΔfG° | -274.28 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -524.26 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 22.18 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 73.02 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.75 | eV | Relay (1.0) Calculated Property |
| log10WS | -1.26 | Relay (1.0) Calculated Property | |
| logPoct/wat | 0.835 | Crippen Calculated Property | |
| McVol | 126.910 | ml/mol | McGowan Calculated Property |
| Pc | 3348.98 | kPa | Joback Calculated Property |
| Tboil | 496.86 | K | Relay (1.0) Calculated Property |
| Tc | 693.47 | K | Relay (1.0) Calculated Property |
| Tfus | 433.41 | K | Relay (1.0) Calculated Property |
| Vc | 0.434 | m3/kmol | Relay (1.0) Calculated Property |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [187.34; 428.29] | 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 | 4.25200e+00 | |||
| Coefficient B | 7.93340e-01 | |||
| Coefficient C | -4.79400e-04 | |||
| Coefficient D | 1.10100e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 187.34 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 229.79 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 267.51 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 300.84 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 330.14 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 355.75 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 378.02 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 397.31 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 413.95 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 428.29 | J/mol×K | 1000.00 | Calculated Property |
Similar Compounds
Find more compounds similar to (1-Methylbutyl) glycine.
Sources
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