- InChI
- InChI=1S/C19H19N/c1-20-14-6-11-19-17-9-4-2-7-15(17)12-13-16-8-3-5-10-18(16)19/h2-5,7-13,20H,6,14H2,1H3
- InChI Key
- XECQQDXTQRYYBH-UHFFFAOYSA-N
- Formula
- C19H19N
- SMILES
- CNCCC=C1c2ccccc2C=Cc2ccccc21
- Molecular Weight1
- 261.36
- CAS
- 303-50-4
- 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° | 547.93 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | 295.05 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 35.98 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 71.50 | kJ/mol | Joback Calculated Property |
| log10WS | -5.31 | Crippen Calculated Property | |
| logPoct/wat | 4.212 | Crippen Calculated Property | |
| McVol | 221.570 | ml/mol | McGowan Calculated Property |
| Pc | 2125.60 | kPa | Joback Calculated Property |
| Inp | 2318.60 | NIST | |
| Tboil | 764.82 | K | Joback Calculated Property |
| Tc | 1004.07 | K | Joback Calculated Property |
| Tfus | 467.73 | K | Joback Calculated Property |
| Vc | 0.846 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [619.64; 702.30] | J/mol×K | [764.82; 1004.07] | 
|
| Cp,gas | 619.64 | J/mol×K | 764.82 | Joback Calculated Property |
| Cp,gas | 635.75 | J/mol×K | 804.69 | Joback Calculated Property |
| Cp,gas | 650.75 | J/mol×K | 844.57 | Joback Calculated Property |
| Cp,gas | 664.76 | J/mol×K | 884.44 | Joback Calculated Property |
| Cp,gas | 677.94 | J/mol×K | 924.32 | Joback Calculated Property |
| Cp,gas | 690.41 | J/mol×K | 964.19 | Joback Calculated Property |
| Cp,gas | 702.30 | J/mol×K | 1004.07 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to N-Desmethylcyclobenzaprine.
Sources
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