- InChI
- InChI=1S/C6H15NO/c1-6(2)5-7-3-4-8/h6-8H,3-5H2,1-2H3
- InChI Key
- VJWZYGQIJWDACM-UHFFFAOYSA-N
- Formula
- C6H15NO
- SMILES
- CC(C)CNCCO
- Molecular Weight1
- 117.19
- CAS
- 17091-40-6
- ω : Acentric Factor.
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- 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).
- logPoct/wat : Octanol/Water partition coefficient.
- McVol : McGowan's characteristic volume (ml/mol).
- Pc : Critical Pressure (kPa).
- Pvap : Vapor pressure (kPa).
- Tboil : Normal Boiling Point Temperature (K).
- Tc : Critical Temperature (K).
- Tfus : Normal melting (fusion) point (K).
- 1: Molecular weight from the IUPAC atomic weights tables.
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Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| ω | 0.6346 | Relay (1.0) Calculated Property | |
| ΔfH°gas | -296.32 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 16.96 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 62.55 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.48 | eV | Relay (1.0) Calculated Property |
| logPoct/wat | 0.224 | Crippen Calculated Property | |
| McVol | 111.250 | ml/mol | McGowan Calculated Property |
| Pc | 3538.87 | kPa | Joback Calculated Property |
| Tboil | 451.72 | K | Relay (1.0) Calculated Property |
| Tc | 609.27 | K | Relay (1.0) Calculated Property |
| Tfus | 259.05 | K | Relay (1.0) Calculated Property |
Cheméo can also estimate Critical Volume, Standard Gibbs free energy of formation, Log10 of Water solubility in mol/l for this compound, but they fall outside the models' validated range, so they are not shown here. Open the prediction tool to compute them on demand.
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [250.66; 306.80] | J/mol×K | [478.59; 646.97] | 
|
| Cp,gas | 250.66 | J/mol×K | 478.59 | Joback Calculated Property |
| Cp,gas | 261.02 | J/mol×K | 506.65 | Joback Calculated Property |
| Cp,gas | 270.96 | J/mol×K | 534.72 | Joback Calculated Property |
| Cp,gas | 280.50 | J/mol×K | 562.78 | Joback Calculated Property |
| Cp,gas | 289.65 | J/mol×K | 590.84 | Joback Calculated Property |
| Cp,gas | 298.41 | J/mol×K | 618.90 | Joback Calculated Property |
| Cp,gas | 306.80 | J/mol×K | 646.97 | Joback Calculated Property |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Pvap | [1.33; 202.66] | kPa | [362.72; 524.44] |
The Yaws Handbook of Vapor Pressure
|
| Equation | ln(Pvp) = A + B/(T + C) | |||
| Coefficient A | 1.43302e+01 | |||
| Coefficient B | -4.07673e+03 | |||
| Coefficient C | -7.24080e+01 | |||
| Temperature range, min. | 362.72 | |||
| Temperature range, max. | 524.44 | |||
| Pvap | 1.33 | kPa | 362.72 | Calculated Property |
| Pvap | 3.02 | kPa | 380.69 | Calculated Property |
| Pvap | 6.26 | kPa | 398.66 | Calculated Property |
| Pvap | 12.02 | kPa | 416.63 | Calculated Property |
| Pvap | 21.64 | kPa | 434.60 | Calculated Property |
| Pvap | 36.83 | kPa | 452.56 | Calculated Property |
| Pvap | 59.76 | kPa | 470.53 | Calculated Property |
| Pvap | 93.00 | kPa | 488.50 | Calculated Property |
| Pvap | 139.51 | kPa | 506.47 | Calculated Property |
| Pvap | 202.66 | kPa | 524.44 | Calculated Property |
Similar Compounds
Find more compounds similar to 2-(isobutylamino)ethanol.
Sources
- Cheméo Relay (1.0)
- Crippen Method
- Crippen Method
- Joback Method
- McGowan Method
- The Yaws Handbook of Vapor Pressure
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