Chemical Properties of 2-Propanol, 1-chloro-3-(1-methylethoxy)- (CAS 4288-84-0)

InChI

InChI=1S/C6H13ClO2/c1-5(2)9-4-6(8)3-7/h5-6,8H,3-4H2,1-2H3

InChI Key

GQPJSBQMFFGZAU-UHFFFAOYSA-N

Formula

C6H13ClO2

SMILES

CC(C)OCC(O)CCl

Molecular Weight¹

152.62

CAS

4288-84-0

Other Names

• 2-Propanol, 1-chloro-3-isopropoxy-
• 1-Chloro-3-isopropoxy-2-propanol
• 1-Chloro-3-(pentyloxy)-2-propanol
• U 25,352
• 1-chloro-3-isopropoxypropan-2-ol

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• η : Dynamic viscosity (Pa×s).
• Δ_fusH° : Enthalpy of fusion 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).
• 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°	13.72	kJ/mol	Joback Calculated Property
log10WS	-0.22		Relay (1.0) Calculated Property
logPoct/wat	1.011		Crippen Calculated Property
McVol	119.380	ml/mol	McGowan Calculated Property
Inp	[1000.00; 1000.00]
Inp	1000.00		NIST
Inp	1000.00		NIST
Tboil	451.39	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 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	[173.45; 375.39]	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			3.77520e+01
Coefficient B			5.63240e-01
Coefficient C			-2.48800e-04
Coefficient D			2.32000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	173.45	J/mol×K	273.00	Calculated Property
Cp,gas	206.90	J/mol×K	353.78	Calculated Property
Cp,gas	237.43	J/mol×K	434.56	Calculated Property
Cp,gas	265.11	J/mol×K	515.33	Calculated Property
Cp,gas	290.01	J/mol×K	596.11	Calculated Property
Cp,gas	312.20	J/mol×K	676.89	Calculated Property
Cp,gas	331.77	J/mol×K	757.67	Calculated Property
Cp,gas	348.77	J/mol×K	838.44	Calculated Property
Cp,gas	363.29	J/mol×K	919.22	Calculated Property
Cp,gas	375.39	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0772383; 0.0002040]	Pa×s	[240.35; 463.46]	Joback Predicted correlation
Equation			Y = exp(A + B/T + C·ln(T) + D·T^E) Y is η in Pa×s, T in K
Coefficient A			-1.48930e+01
Coefficient B			2.96404e+03
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Comment			Liquid phase. Joback/Reid (1987), valid from Tf to 0.7·Tc.
Temperature range, min.			240.35
Temperature range, max.			463.46
η	0.0772383	Pa×s	240.35	Calculated Property
η	0.0243827	Pa×s	265.14	Calculated Property
η	0.0093748	Pa×s	289.93	Calculated Property
η	0.0041902	Pa×s	314.72	Calculated Property
η	0.0021066	Pa×s	339.51	Calculated Property
η	0.0011630	Pa×s	364.30	Calculated Property
η	0.0006925	Pa×s	389.09	Calculated Property
η	0.0004388	Pa×s	413.88	Calculated Property
η	0.0002928	Pa×s	438.67	Calculated Property
η	0.0002040	Pa×s	463.46	Calculated Property

Similar Compounds

Find more compounds similar to 2-Propanol, 1-chloro-3-(1-methylethoxy)-.

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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