- InChI
- InChI=1S/C8H19NO2/c1-5(7(3)10)9-6(2)8(4)11/h5-11H,1-4H3
- InChI Key
- BVXKSRVXGSQWLE-UHFFFAOYSA-N
- Formula
- C8H19NO2
- SMILES
- CC(O)C(C)NC(C)C(C)O
- Molecular Weight1
- 161.24
- CAS
- 6959-06-4
- 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 | 0.6693 | Relay (1.0) Calculated Property | |
| ΔfG° | -177.53 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -521.25 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 15.66 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 82.42 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.44 | eV | Relay (1.0) Calculated Property |
| log10WS | -0.10 | Relay (1.0) Calculated Property | |
| logPoct/wat | 0.115 | Crippen Calculated Property | |
| McVol | 145.300 | ml/mol | McGowan Calculated Property |
| Pc | 3239.34 | kPa | Joback Calculated Property |
| Tboil | 503.78 | K | Relay (1.0) Calculated Property |
| Tc | 652.75 | K | Relay (1.0) Calculated Property |
| Tfus | 347.80 | K | Relay (1.0) Calculated Property |
| Vc | 0.530 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [395.58; 455.13] | J/mol×K | [615.21; 785.32] | 
|
| Cp,gas | 395.58 | J/mol×K | 615.21 | Joback Calculated Property |
| Cp,gas | 406.73 | J/mol×K | 643.56 | Joback Calculated Property |
| Cp,gas | 417.37 | J/mol×K | 671.91 | Joback Calculated Property |
| Cp,gas | 427.51 | J/mol×K | 700.26 | Joback Calculated Property |
| Cp,gas | 437.18 | J/mol×K | 728.61 | Joback Calculated Property |
| Cp,gas | 446.38 | J/mol×K | 756.97 | Joback Calculated Property |
| Cp,gas | 455.13 | J/mol×K | 785.32 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 2-Butanol, 3,3'-iminodi-.
Sources
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