- InChI
- InChI=1S/C12H17NO/c1-8-5-6-11(7-9(8)2)12(14)10(3)13-4/h5-7,10,13H,1-4H3
- InChI Key
- IBZRXTVDTGVBIS-UHFFFAOYSA-N
- Formula
- C12H17NO
- SMILES
- CNC(C)C(=O)c1ccc(C)c(C)c1
- Molecular Weight1
- 191.27
- CAS
- 1082110-00-6
- 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 | 0.5377 | Relay (... Calculated Property | |
| ΔfG° | 101.34 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -134.46 | kJ/mol | Relay (... Calculated Property |
| ΔfusH° | 23.27 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 76.99 | kJ/mol | Relay (... Calculated Property |
| IE | 8.04 | eV | Relay (... Calculated Property |
| log10WS | -1.75 | Relay (... Calculated Property | |
| logPoct/wat | 2.094 | Crippen Calculated Property | |
| McVol | 167.730 | ml/mol | McGowan Calculated Property |
| Pc | 2537.93 | kPa | Joback Calculated Property |
| Inp | [1602.80; 1602.80] |
|
|
| Inp | 1602.80 | NIST | |
| Inp | 1602.80 | NIST | |
| Tboil | 551.21 | K | Relay (... Calculated Property |
| Tc | 769.49 | K | Relay (... Calculated Property |
| Tfus | 389.01 | K | Relay (... Calculated Property |
| Vc | 0.604 | m3/kmol | Relay (... Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [419.51; 497.42] | J/mol×K | [614.20; 828.49] |
|
| Cp,gas | 419.51 | J/mol×K | 614.20 | Joback Calculated Property |
| Cp,gas | 434.62 | J/mol×K | 649.92 | Joback Calculated Property |
| Cp,gas | 448.84 | J/mol×K | 685.63 | Joback Calculated Property |
| Cp,gas | 462.19 | J/mol×K | 721.35 | Joback Calculated Property |
| Cp,gas | 474.72 | J/mol×K | 757.06 | Joback Calculated Property |
| Cp,gas | 486.45 | J/mol×K | 792.78 | Joback Calculated Property |
| Cp,gas | 497.42 | J/mol×K | 828.49 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 3,4-Dimethylmethcathinone.
Sources
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