Chemical Properties of N-Ethyl-N-isopropyl aminoethyl-2-chloride

InChI

InChI=1S/C7H16ClN/c1-4-9(6-5-8)7(2)3/h7H,4-6H2,1-3H3

InChI Key

NYEWPJJQNGVOCU-UHFFFAOYSA-N

Formula

C7H16ClN

SMILES

CCN(CCCl)C(C)C

Molecular Weight¹

149.67

Other Names

• ethanamine, 2-chloro, N-ethyl, N-isopropyl

• 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).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔfusH°	17.58	kJ/mol	Joback Calculated Property
logPoct/wat	1.956		Crippen Calculated Property
McVol	131.710	ml/mol	McGowan Calculated Property
Inp	[977.96; 977.96]
Inp	977.96		NIST
Inp	977.96		NIST
Tboil	434.43	K	Relay (1.0) Calculated Property

Cheméo can also estimate Normal melting (fusion) point, 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.

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[182.58; 427.30]	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			-2.95700e+00
Coefficient B			8.05460e-01
Coefficient C			-4.93200e-04
Coefficient D			1.18000e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	182.58	J/mol×K	273.00	Calculated Property
Cp,gas	225.49	J/mol×K	353.78	Calculated Property
Cp,gas	263.61	J/mol×K	434.56	Calculated Property
Cp,gas	297.29	J/mol×K	515.33	Calculated Property
Cp,gas	326.92	J/mol×K	596.11	Calculated Property
Cp,gas	352.87	J/mol×K	676.89	Calculated Property
Cp,gas	375.51	J/mol×K	757.67	Calculated Property
Cp,gas	395.21	J/mol×K	838.44	Calculated Property
Cp,gas	412.35	J/mol×K	919.22	Calculated Property
Cp,gas	427.30	J/mol×K	1000.00	Calculated Property

Similar Compounds

Find more compounds similar to N-Ethyl-N-isopropyl aminoethyl-2-chloride.

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.
Calculated This icon marks a calculated value or equation: a prediction, not a measurement.
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