- InChI
- InChI=1S/C6H13N/c1-4-5-6-7(2)3/h5-6H,4H2,1-3H3/b6-5+
- InChI Key
- XWAKKPDDQPWGAQ-AATRIKPKSA-N
- Formula
- C6H13N
- SMILES
- CCC=CN(C)C
- Molecular Weight1
- 99.17
- CAS
- 14548-12-0
- Other Names
-
- (CH3)2NCH=CHC2H5
- 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).
- 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 | 0.3063 | Relay (1.0) Calculated Property | |
| ΔfG° | 190.64 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -21.95 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 14.52 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 44.94 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 7.57 | eV | NIST |
| logPoct/wat | 1.472 | Crippen Calculated Property | |
| McVol | 101.080 | ml/mol | McGowan Calculated Property |
| Pc | 3287.81 | kPa | Joback Calculated Property |
| Tboil | 403.22 | K | Relay (1.0) Calculated Property |
| Tc | 572.09 | K | Relay (1.0) Calculated Property |
| Tfus | 197.22 | K | Relay (1.0) Calculated Property |
| Vc | 0.387 | m3/kmol | Relay (1.0) Calculated Property |
Cheméo can also estimate Log10 of Water solubility in mol/l for this compound, but it falls outside the models' validated range, so it is not shown here. Open the prediction tool to compute it on demand.
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [134.27; 336.32] | 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 | -2.74390e+01 | |||
| Coefficient B | 7.17760e-01 | |||
| Coefficient C | -4.99000e-04 | |||
| Coefficient D | 1.45000e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 134.27 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 170.45 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 202.14 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 229.77 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 253.82 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 274.74 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 293.00 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 309.04 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 323.33 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 336.32 | J/mol×K | 1000.00 | Calculated Property |
Similar Compounds
Find more compounds similar to 1,1-Dimethylamino-1-butene.
Sources
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