- InChI
- InChI=1S/C18H23N/c1-15(19(2)3)14-18(16-10-6-4-7-11-16)17-12-8-5-9-13-17/h4-13,15,18H,14H2,1-3H3
- InChI Key
- NSHMKXVHJBBKTN-UHFFFAOYSA-N
- Formula
- C18H23N
- SMILES
- CC(CC(c1ccccc1)c1ccccc1)N(C)C
- Molecular Weight1
- 253.38
- CAS
- 13957-55-6
- Other Names
-
- Benzenepropanamine, N,N,«alpha»-trimethyl-«gamma»-phenyl-
- Propylamine, N,N,1-trimethyl-3,3-diphenyl-
- N,N,«alpha»Trimethyl-«gamma»-phenylbenzenepropanamine
- N,N-Dimethyl-4,4-diphenyl-2-butanamine
- 1,1-Diphenylbutane, 3-dimethylamino
- 2-Butanamine, N,N-dimethyl, 4,4-diphenyl
- 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).
- 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 |
|---|---|---|---|
| ΔfG° | 431.40 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | 115.18 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 26.43 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 61.48 | kJ/mol | Joback Calculated Property |
| log10WS | -4.31 | Crippen Calculated Property | |
| logPoct/wat | 4.159 | Crippen Calculated Property | |
| McVol | 226.940 | ml/mol | McGowan Calculated Property |
| Pc | 1940.65 | kPa | Joback Calculated Property |
| Inp | [1973.00; 1973.00] |
|
|
| Inp | 1973.00 | NIST | |
| Inp | 1973.00 | NIST | |
| Tboil | 676.16 | K | Joback Calculated Property |
| Tc | 903.13 | K | Joback Calculated Property |
| Tfus | 347.93 | K | Joback Calculated Property |
| Vc | 0.834 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [618.60; 719.23] | J/mol×K | [676.16; 903.13] |
|
| Cp,gas | 618.60 | J/mol×K | 676.16 | Joback Calculated Property |
| Cp,gas | 638.74 | J/mol×K | 713.99 | Joback Calculated Property |
| Cp,gas | 657.41 | J/mol×K | 751.82 | Joback Calculated Property |
| Cp,gas | 674.70 | J/mol×K | 789.64 | Joback Calculated Property |
| Cp,gas | 690.70 | J/mol×K | 827.47 | Joback Calculated Property |
| Cp,gas | 705.52 | J/mol×K | 865.30 | Joback Calculated Property |
| Cp,gas | 719.23 | J/mol×K | 903.13 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to N,N,1-Trimethyl-3,3-diphenylpropylamine.
Sources
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