- InChI
- InChI=1S/C7H15NO3/c1-4(2)11-7(10)6(8)5(3)9/h4-6,9H,8H2,1-3H3
- InChI Key
- DAVNUZXTMACPML-UHFFFAOYSA-N
- Formula
- C7H15NO3
- SMILES
- CC(C)OC(=O)C(N)C(C)O
- Molecular Weight1
- 161.20
- 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).
- 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 | 0.6534 | Relay (1.0) Calculated Property | |
| ΔfG° | -303.55 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -697.50 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 15.39 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 70.22 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.03 | eV | Relay (1.0) Calculated Property |
| log10WS | -0.50 | Relay (1.0) Calculated Property | |
| logPoct/wat | -0.354 | Crippen Calculated Property | |
| McVol | 132.780 | ml/mol | McGowan Calculated Property |
| Pc | 3581.35 | kPa | Joback Calculated Property |
| Inp | [1123.00; 1137.00] |
|
|
| Inp | 1137.00 | NIST | |
| Inp | 1133.00 | NIST | |
| Inp | 1126.00 | NIST | |
| Inp | 1123.00 | NIST | |
| Tboil | 463.40 | K | Relay (1.0) Calculated Property |
| Tc | 649.58 | K | Relay (1.0) Calculated Property |
| Tfus | 351.36 | K | Relay (1.0) Calculated Property |
| Vc | 0.491 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [344.71; 401.44] | J/mol×K | [599.24; 788.21] |
|
| Cp,gas | 344.71 | J/mol×K | 599.24 | Joback Calculated Property |
| Cp,gas | 355.43 | J/mol×K | 630.73 | Joback Calculated Property |
| Cp,gas | 365.64 | J/mol×K | 662.23 | Joback Calculated Property |
| Cp,gas | 375.34 | J/mol×K | 693.72 | Joback Calculated Property |
| Cp,gas | 384.54 | J/mol×K | 725.22 | Joback Calculated Property |
| Cp,gas | 393.24 | J/mol×K | 756.71 | Joback Calculated Property |
| Cp,gas | 401.44 | J/mol×K | 788.21 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Butanoic acid, 2-amino-3-hydroxy, isopropyl ester.
Sources
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