- InChI
- InChI=1S/C16H25NO2/c1-17(2)12-14-7-4-5-10-16(14,18)13-8-6-9-15(11-13)19-3/h6,8-9,11,14,18H,4-5,7,10,12H2,1-3H3
- InChI Key
- TVYLLZQTGLZFBW-UHFFFAOYSA-N
- Formula
- C16H25NO2
- SMILES
- COc1cccc(C2(O)CCCCC2CN(C)C)c1
- Molecular Weight1
- 263.38
- CAS
- 27203-92-5
- Other Names
-
- Ultram
- (.+/-.)-2-[(Dimethylamino)methyl]-1-(3-methoxyphenyl)cyclohexanol, cis-
- CG 315E
- E 265
- U 26255A
- 2-[(Dimethylamino)methyl]-1-(3-methoxyphenyl)cyclohexanol, cis-
- (.+/-.)-Tramadol
- Cyclohexanol, 2-((dimethylamino)methyl)-1-(3-methoxyphenyl)-, cis-(.+/-.)-
- Cyclohexanol, 2-((dimethylamino)methyl)-1-(m-methoxyphenyl)-
- 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 | 0.6973 | Relay (... Calculated Property | |
| ΔfG° | 66.83 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -271.77 | kJ/mol | Relay (... Calculated Property |
| ΔfusH° | 25.75 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 95.60 | kJ/mol | Relay (... Calculated Property |
| IE | 7.35 | eV | Relay (... Calculated Property |
| log10WS | -2.34 | Relay (... Calculated Property | |
| logPoct/wat | 2.635 | Crippen Calculated Property | |
| McVol | 223.400 | ml/mol | McGowan Calculated Property |
| Pc | 2167.36 | kPa | Joback Calculated Property |
| Inp | [1945.00; 1999.00] |
|
|
| Inp | 1991.30 | NIST | |
| Inp | 1999.00 | NIST | |
| Inp | 1945.00 | NIST | |
| Inp | 1999.00 | NIST | |
| Inp | 1991.30 | NIST | |
| Tboil | 616.94 | K | Relay (... Calculated Property |
| Tc | 845.23 | K | Relay (... Calculated Property |
| Tfus | 361.05 | K | Relay (... Calculated Property |
| Vc | 0.787 | m3/kmol | Relay (... Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [676.71; 776.13] | J/mol×K | [739.30; 949.64] |
|
| Cp,gas | 676.71 | J/mol×K | 739.30 | Joback Calculated Property |
| Cp,gas | 695.05 | J/mol×K | 774.36 | Joback Calculated Property |
| Cp,gas | 712.53 | J/mol×K | 809.41 | Joback Calculated Property |
| Cp,gas | 729.26 | J/mol×K | 844.47 | Joback Calculated Property |
| Cp,gas | 745.36 | J/mol×K | 879.52 | Joback Calculated Property |
| Cp,gas | 760.94 | J/mol×K | 914.58 | Joback Calculated Property |
| Cp,gas | 776.13 | J/mol×K | 949.64 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Tramadol.
Sources
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