Chemical Properties of 2-Propanamine, N-(2-chloroethyl)-N-(1-methylethyl)- (CAS 96-79-7)

InChI

InChI=1S/C8H18ClN/c1-7(2)10(6-5-9)8(3)4/h7-8H,5-6H2,1-4H3

InChI Key

DBVADBHSJCWFKI-UHFFFAOYSA-N

Formula

C8H18ClN

SMILES

CC(C)N(CCCl)C(C)C

Molecular Weight¹

163.69

CAS

96-79-7

Other Names

• «beta»-Diisopropylaminoethyl chloride
• Diisopropylaminoethyl chloride
• N-(2-Chloroethyl)diisopropylamine
• N,N-Diisopropyl-2-chloroethylamine
• Triethylamine, 2-chloro-1',1''-dimethyl-
• 1-(Diisopropylamino)-2-chloroethane
• 1-Chloro-2-diisopropylaminoethane
• 2-(Diisopropylamino)ethyl chloride
• 2-Chloro-N,N-diisopropylethanamine
• 2-Chloro-N,N-diisopropylethylamine
• Diisopropylamine, N-(2-chloroethyl)-
• Diisopropyl-(2-chloro-ethyl)-amine
• NSC 11785

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• Δ_fusH° : Enthalpy of fusion 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.
• 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

Cheméo can also estimate Critical Temperature, Critical Pressure, Critical Volume, Enthalpy of formation at standard conditions, Enthalpy of vaporization at standard conditions, 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.

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[293.36; 371.14]	J/mol×K	[431.43; 608.37]
Cp,gas	293.36	J/mol×K	431.43	Joback Calculated Property
Cp,gas	307.88	J/mol×K	460.92	Joback Calculated Property
Cp,gas	321.74	J/mol×K	490.41	Joback Calculated Property
Cp,gas	334.98	J/mol×K	519.90	Joback Calculated Property
Cp,gas	347.62	J/mol×K	549.39	Joback Calculated Property
Cp,gas	359.66	J/mol×K	578.88	Joback Calculated Property
Cp,gas	371.14	J/mol×K	608.37	Joback Calculated Property

Similar Compounds

Find more compounds similar to 2-Propanamine, N-(2-chloroethyl)-N-(1-methylethyl)-.

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

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