Chemical Properties of Tramadol (CAS 27203-92-5)

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)-

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• Δ_fG° : Standard Gibbs free energy of formation (kJ/mol).
• Δ_fH°_gas : Enthalpy of formation at standard conditions (kJ/mol).
• Δ_fusH° : Enthalpy of fusion at standard conditions (kJ/mol).
• Δ_vapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
• log₁₀WS : Log10 of Water solubility in mol/l.
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• P_c : Critical Pressure (kPa).
• I_np : Non-polar retention indices.
• T_boil : Normal Boiling Point Temperature (K).
• T_c : Critical Temperature (K).
• T_fus : Normal melting (fusion) point (K).
• V_c : Critical Volume (m³/kmol).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔfG°	66.83	kJ/mol	Joback Calculated Property
ΔfH°gas	-316.21	kJ/mol	Joback Calculated Property
ΔfusH°	25.75	kJ/mol	Joback Calculated Property
ΔvapH°	74.25	kJ/mol	Joback Calculated Property
log10WS	-2.98		Crippen 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	739.30	K	Joback Calculated Property
Tc	949.64	K	Joback Calculated Property
Tfus	451.58	K	Joback Calculated Property
Vc	0.808	m3/kmol	Joback 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

• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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