Chemical Properties of Chlorphentermine (CAS 461-78-9)

InChI

InChI=1S/C10H14ClN/c1-10(2,12)7-8-3-5-9(11)6-4-8/h3-6H,7,12H2,1-2H3

InChI Key

ZCKAMNXUHHNZLN-UHFFFAOYSA-N

Formula

C10H14ClN

SMILES

CC(C)(N)Cc1ccc(Cl)cc1

Molecular Weight¹

183.68

CAS

461-78-9

Other Names

• Benzeneethanamine, 4-chloro-«alpha»,«alpha»-dimethyl-
• Phenethylamine, p-chloro-«alpha»,«alpha»-dimethyl-
• p-Chloro-«alpha»,«alpha»-dimethylphenethylamine
• Chlorophentermine
• Desopimon
• Effox
• Lucofen SA
• 4-Chloro-«alpha»,«alpha»-dimethylphenethylamine
• «beta»-(p-Chlorophenyl)-«alpha»,«alpha»-dimethylethylamine
• 1-(p-Chlorophenyl)-2-methyl-2-aminopropane
• Chlorphenteramine
• 4-Chloro-«alpha»,«alpha»-dimethylbenzeneethanamine
• Clorfentermina
• Teramine
• Chlorpentermine

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• Δ_fusH° : Enthalpy of fusion at standard conditions (kJ/mol).
• Δ_vapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
• IE : Ionization energy (eV).
• log₁₀WS : Log10 of Water solubility in mol/l.
• 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).
• T_fus : Normal melting (fusion) point (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔfusH°	17.29	kJ/mol	Joback Calculated Property
ΔvapH°	66.37	kJ/mol	Relay (1.0) Calculated Property
IE	8.50	eV	Relay (1.0) Calculated Property
log10WS	-3.01		Relay (1.0) Calculated Property
logPoct/wat	2.620		Crippen Calculated Property
McVol	150.220	ml/mol	McGowan Calculated Property
Inp	[1329.00; 1394.00]
Inp	1329.00		NIST
Inp	1369.00		NIST
Inp	1394.00		NIST
Inp	1355.00		NIST
Inp	1394.00		NIST
Inp	1350.00		NIST
Inp	1338.00		NIST
Inp	1338.00		NIST
Inp	1329.00		NIST
Inp	1360.00		NIST
Inp	1371.00		NIST
Inp	1375.00		NIST
Inp	1380.00		NIST
Inp	1383.00		NIST
Inp	1384.00		NIST
Inp	1342.00		NIST
Inp	1329.00		NIST
Inp	1342.00		NIST
Inp	1380.00		NIST
Inp	1371.00		NIST
Inp	1384.00		NIST
Inp	1369.00		NIST
I	[1871.00; 1942.00]
I	1871.00		NIST
I	1871.00		NIST
I	1907.00		NIST
I	1916.00		NIST
I	1926.00		NIST
I	1942.00		NIST
Tboil	516.45	K	Relay (1.0) Calculated Property
Tfus	312.07	K	Relay (1.0) Calculated Property

Cheméo can also estimate Critical Temperature, Critical Pressure, Critical Volume, Enthalpy of formation at standard conditions, Standard Gibbs free energy of formation, Acentric Factor 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.

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[346.71; 419.45]	J/mol×K	[566.79; 802.53]
Cp,gas	346.71	J/mol×K	566.79	Joback Calculated Property
Cp,gas	361.33	J/mol×K	606.08	Joback Calculated Property
Cp,gas	374.86	J/mol×K	645.37	Joback Calculated Property
Cp,gas	387.36	J/mol×K	684.66	Joback Calculated Property
Cp,gas	398.91	J/mol×K	723.95	Joback Calculated Property
Cp,gas	409.58	J/mol×K	763.24	Joback Calculated Property
Cp,gas	419.45	J/mol×K	802.53	Joback Calculated Property

Similar Compounds

Find more compounds similar to Chlorphentermine.

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.
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