Chemical Properties of Phenmetrazine (CAS 134-49-6)

InChI

InChI=1S/C11H15NO/c1-9-11(13-8-7-12-9)10-5-3-2-4-6-10/h2-6,9,11-12H,7-8H2,1H3

InChI Key

OOBHFESNSZDWIU-UHFFFAOYSA-N

Formula

C11H15NO

SMILES

CC1NCCOC1c1ccccc1

Molecular Weight¹

177.24

CAS

134-49-6

Other Names

• Morpholine, 3-methyl-2-phenyl-
• A 66
• Oxazimedrine
• Phenmetrazin
• Probese-P
• Psychamine A 66
• 2-Phenyl-3-methylmorpholine
• 3-Methyl-2-phenylmorpholine
• 3-Methyl-2-phenyltetrahydro-2H-1,4-oxazine

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• 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).
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• I_np : Non-polar retention indices.
• I : Polar retention indices.
• T_boil : Normal Boiling Point Temperature (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔfH°gas	-47.02	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	28.76	kJ/mol	Joback Calculated Property
ΔvapH°	72.04	kJ/mol	Relay (1.0) Calculated Property
logPoct/wat	1.736		Crippen Calculated Property
McVol	147.080	ml/mol	McGowan Calculated Property
Inp	[1416.00; 1469.00]
Inp	1440.00		NIST
Inp	1416.00		NIST
Inp	1425.00		NIST
Inp	1458.00		NIST
Inp	1468.00		NIST
Inp	1468.00		NIST
Inp	1440.00		NIST
Inp	1468.00		NIST
Inp	1440.00		NIST
Inp	1430.00		NIST
Inp	1469.00		NIST
Inp	1419.00		NIST
Inp	1419.00		NIST
Inp	1420.00		NIST
Inp	1431.00		NIST
Inp	1425.00		NIST
Inp	1420.00		NIST
Inp	1420.00		NIST
Inp	1431.00		NIST
Inp	1431.00		NIST
I	[2089.00; 2168.00]
I	2089.00		NIST
I	2150.00		NIST
I	2158.00		NIST
I	2168.00		NIST
I	2150.00		NIST
Tboil	530.95	K	Relay (1.0) Calculated Property

Cheméo can also estimate Normal melting (fusion) point, Critical Temperature, Critical Pressure, Critical Volume, Standard Gibbs free energy of formation, Acentric Factor, Ionization energy, Log10 of Water solubility in mol/l for this compound, but they fall outside the models' validated range, so they are not shown here. Open the prediction tool to compute them on demand.

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[180.19; 510.78]	J/mol×K	[273.00; 1000.00]	Joback Predicted correlation
Equation			Y = A + B·T + C·T² + D·T³ + E·T⁴ Y is Cp,gas in J/mol×K, T in K
Coefficient A			-6.64400e+01
Coefficient B			1.04912e+00
Coefficient C			-5.56900e-04
Coefficient D			8.50000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	180.19	J/mol×K	273.00	Calculated Property
Cp,gas	238.78	J/mol×K	353.78	Calculated Property
Cp,gas	291.27	J/mol×K	434.56	Calculated Property
Cp,gas	337.94	J/mol×K	515.33	Calculated Property
Cp,gas	379.06	J/mol×K	596.11	Calculated Property
Cp,gas	414.90	J/mol×K	676.89	Calculated Property
Cp,gas	445.72	J/mol×K	757.67	Calculated Property
Cp,gas	471.79	J/mol×K	838.44	Calculated Property
Cp,gas	493.39	J/mol×K	919.22	Calculated Property
Cp,gas	510.78	J/mol×K	1000.00	Calculated Property

Similar Compounds

Find more compounds similar to Phenmetrazine.

Sources

• Cheméo Relay (1.0)
• Cheméo Relay (1.0, beta) Beta: served but experimental, data-limited and below our cross-validation release bar; the Joback value is recommended where available.
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more. Take the time to validate and double check the source of the data.
These property values are available through the Cheméo API. A free account gives you an access key.