- InChI
- InChI=1S/C22H26N2O4/c1-7-15-13(2)23-24-22(14-8-9-18(25-3)19(10-14)26-4)17-12-21(28-6)20(27-5)11-16(15)17/h8-12,15H,7H2,1-6H3
- InChI Key
- RUJBDQSFYCKFAA-UHFFFAOYSA-N
- Formula
- C22H26N2O4
- SMILES
-
CCC1C(C)=NN=C(c2ccc(OC)c(OC)c2
)c2cc(OC)c(OC)cc21 - Molecular Weight1
- 382.45
- CAS
- 22345-47-7
- Other Names
-
- 5H-2,3-Benzodiazepine, 1-(3,4-dimethoxyphenyl)-5-ethyl-7,8-dimethoxy-4-methyl-
- 1-(3,4-Dimethoxyphenyl)-5-ethyl-7,8-dimethoxy-4-methyl-5H-2,3-benzodiazepine
- Egyt 341
- Grandaxin
- TF
- Seriel
- 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° | 201.80 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -315.54 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 49.50 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 96.65 | kJ/mol | Joback Calculated Property |
| log10WS | -5.39 | Crippen Calculated Property | |
| logPoct/wat | 4.441 | Crippen Calculated Property | |
| McVol | 297.300 | ml/mol | McGowan Calculated Property |
| Pc | 1494.19 | kPa | Joback Calculated Property |
| Inp | 3055.00 | NIST | |
| Tboil | 1001.66 | K | Joback Calculated Property |
| Tc | 1245.75 | K | Joback Calculated Property |
| Tfus | 722.60 | K | Joback Calculated Property |
| Vc | 1.135 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1000.48; 1029.31] | J/mol×K | [1001.66; 1245.75] | 
|
| Cp,gas | 1000.48 | J/mol×K | 1001.66 | Joback Calculated Property |
| Cp,gas | 1011.63 | J/mol×K | 1042.34 | Joback Calculated Property |
| Cp,gas | 1020.15 | J/mol×K | 1083.02 | Joback Calculated Property |
| Cp,gas | 1025.98 | J/mol×K | 1123.71 | Joback Calculated Property |
| Cp,gas | 1029.06 | J/mol×K | 1164.39 | Joback Calculated Property |
| Cp,gas | 1029.31 | J/mol×K | 1205.07 | Joback Calculated Property |
| Cp,gas | 1026.67 | J/mol×K | 1245.75 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Tofisopam.
Sources
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