- InChI
- InChI=1S/C6H11NO2/c7-5(6(8)9)3-4-1-2-4/h4-5H,1-3,7H2,(H,8,9)
- InChI Key
- XGUXJMWPVJQIHI-UHFFFAOYSA-N
- Formula
- C6H11NO2
- SMILES
- NC(CC1CC1)C(=O)O
- Molecular Weight1
- 129.16
- CAS
- 15785-52-1
- 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 | 0.6727 | Relay (1.0) Calculated Property | |
| ΔfG° | -141.34 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -420.08 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 16.79 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 73.26 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.69 | eV | Relay (1.0) Calculated Property |
| log10WS | -0.85 | Relay (1.0) Calculated Property | |
| logPoct/wat | 0.198 | Crippen Calculated Property | |
| McVol | 101.960 | ml/mol | McGowan Calculated Property |
| Pc | 4795.85 | kPa | Joback Calculated Property |
| Tboil | 514.97 | K | Relay (1.0) Calculated Property |
| Tc | 723.19 | K | Relay (1.0) Calculated Property |
| Tfus | 464.05 | K | Relay (1.0) Calculated Property |
| Vc | 0.353 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [260.05; 310.76] | J/mol×K | [561.56; 759.70] | 
|
| Cp,gas | 260.05 | J/mol×K | 561.56 | Joback Calculated Property |
| Cp,gas | 269.88 | J/mol×K | 594.58 | Joback Calculated Property |
| Cp,gas | 279.12 | J/mol×K | 627.61 | Joback Calculated Property |
| Cp,gas | 287.79 | J/mol×K | 660.63 | Joback Calculated Property |
| Cp,gas | 295.93 | J/mol×K | 693.65 | Joback Calculated Property |
| Cp,gas | 303.57 | J/mol×K | 726.68 | Joback Calculated Property |
| Cp,gas | 310.76 | J/mol×K | 759.70 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to (Beta-cyclopropyl)-alanine.
Sources
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