- InChI
- InChI=1S/C6H15NO/c1-5(2)3-6(7)4-8/h5-6,8H,3-4,7H2,1-2H3/t6-/m0/s1
- InChI Key
- VPSSPAXIFBTOHY-LURJTMIESA-N
- Formula
- C6H15NO
- SMILES
- CC(C)CC(N)CO
- Molecular Weight1
- 117.19
- CAS
- 53448-09-2
- Other Names
-
- D-Leucinol
- 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).
- Tboilr : Boiling point at reduced pressure (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 | 0.6357 | Relay (1.0) Calculated Property | |
| ΔfG° | -75.61 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -305.28 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 13.53 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 66.43 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.02 | eV | Relay (1.0) Calculated Property |
| log10WS | -0.76 | Relay (1.0) Calculated Property | |
| logPoct/wat | 0.352 | Crippen Calculated Property | |
| McVol | 111.250 | ml/mol | McGowan Calculated Property |
| Pc | 3768.41 | kPa | Joback Calculated Property |
| Tboil | 473.34 | K | Relay (1.0) Calculated Property |
| Tc | 646.17 | K | Relay (1.0) Calculated Property |
| Tfus | 273.96 | K | Relay (1.0) Calculated Property |
| Vc | 0.375 | m3/kmol | Relay (1.0) Calculated Property |
Pressure Dependent Properties
| Property | Value | Unit | Pressure (kPa) | Source |
|---|---|---|---|---|
| Tboilr | 472.20 | K | 102.00 | NIST |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [165.01; 384.59] | J/mol×K | [273.00; 1000.00] |
Joback Predicted correlation
|
| Equation | Y = A + B·T + C·T² + D·T³ + E·T⁴ Y is Cp,gas in J/mol×K, T in K | |||
| Coefficient A | 5.85200e+00 | |||
| Coefficient B | 6.81540e-01 | |||
| Coefficient C | -3.82800e-04 | |||
| Coefficient D | 8.00000e-08 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 165.01 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 202.60 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 236.30 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 266.36 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 293.04 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 316.60 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 337.28 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 355.33 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 371.02 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 384.59 | J/mol×K | 1000.00 | Calculated Property |
Similar Compounds
Find more compounds similar to (R)-(-)-Leucinol.
Sources
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