- InChI
- InChI=1S/C7H15NO2/c1-7(2,3)4-5(8)6(9)10/h5H,4,8H2,1-3H3,(H,9,10)
- InChI Key
- LPBSHGLDBQBSPI-UHFFFAOYSA-N
- Formula
- C7H15NO2
- SMILES
- CC(C)(C)CC(N)C(=O)O
- Molecular Weight1
- 145.20
- CAS
- 106247-35-2
- 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).
- 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 |
|---|---|---|---|
| ΔfG° | -190.83 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -432.86 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 13.83 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 63.56 | kJ/mol | Joback Calculated Property |
| log10WS | -1.16 | Crippen Calculated Property | |
| logPoct/wat | 0.835 | Crippen Calculated Property | |
| McVol | 126.910 | ml/mol | McGowan Calculated Property |
| Pc | 3668.65 | kPa | Joback Calculated Property |
| Tboil | 574.47 | K | Joback Calculated Property |
| Tc | 767.73 | K | Joback Calculated Property |
| Tfus | 350.08 | K | Joback Calculated Property |
| Vc | 0.465 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [324.10; 380.47] | J/mol×K | [574.47; 767.73] | 
|
| Cp,gas | 324.10 | J/mol×K | 574.47 | Joback Calculated Property |
| Cp,gas | 334.97 | J/mol×K | 606.68 | Joback Calculated Property |
| Cp,gas | 345.21 | J/mol×K | 638.89 | Joback Calculated Property |
| Cp,gas | 354.85 | J/mol×K | 671.10 | Joback Calculated Property |
| Cp,gas | 363.92 | J/mol×K | 703.31 | Joback Calculated Property |
| Cp,gas | 372.45 | J/mol×K | 735.52 | Joback Calculated Property |
| Cp,gas | 380.47 | J/mol×K | 767.73 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Neopentylglycine.
Sources
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