Chemical Properties of 2-Propanol, 1-chloro-3-ethoxy-

InChI

InChI=1S/C5H11ClO2/c1-2-8-4-5(7)3-6/h5,7H,2-4H2,1H3

InChI Key

XHIINWKFCZSGNY-UHFFFAOYSA-N

Formula

C5H11ClO2

SMILES

CCOCC(O)CCl

Molecular Weight¹

138.59

Other Names

• 1-Ethoxy-2-hydroxy-3-chloropropane
• 3-Ethoxy-1-chloro-2-propanol
• 1-Chloro-3-ethoxy-2-propanol

• 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).
• 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.
• T_boil : Normal Boiling Point Temperature (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔfusH°	14.66	kJ/mol	Joback Calculated Property
ΔvapH°	60.46	kJ/mol	Relay (1.0) Calculated Property
IE	10.09	eV	Relay (1.0) Calculated Property
log10WS	0.12		Relay (1.0) Calculated Property
logPoct/wat	0.623		Crippen Calculated Property
McVol	105.290	ml/mol	McGowan Calculated Property
Inp	[960.00; 960.00]
Inp	960.00		NIST
Inp	960.00		NIST
Tboil	447.01	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, 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.

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[152.55; 323.26]	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			4.03430e+01
Coefficient B			4.62320e-01
Coefficient C			-1.91200e-04
Coefficient D			1.18000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	152.55	J/mol×K	273.00	Calculated Property
Cp,gas	180.49	J/mol×K	353.78	Calculated Property
Cp,gas	206.11	J/mol×K	434.56	Calculated Property
Cp,gas	229.43	J/mol×K	515.33	Calculated Property
Cp,gas	250.49	J/mol×K	596.11	Calculated Property
Cp,gas	269.34	J/mol×K	676.89	Calculated Property
Cp,gas	286.00	J/mol×K	757.67	Calculated Property
Cp,gas	300.52	J/mol×K	838.44	Calculated Property
Cp,gas	312.92	J/mol×K	919.22	Calculated Property
Cp,gas	323.26	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0471957; 0.0002462]	Pa×s	[244.08; 446.19]	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			-1.46565e+01
Coefficient B			2.83206e+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.			244.08
Temperature range, max.			446.19
η	0.0471957	Pa×s	244.08	Calculated Property
η	0.0177554	Pa×s	266.54	Calculated Property
η	0.0077758	Pa×s	288.99	Calculated Property
η	0.0038359	Pa×s	311.45	Calculated Property
η	0.0020810	Pa×s	333.91	Calculated Property
η	0.0012194	Pa×s	356.37	Calculated Property
η	0.0007613	Pa×s	378.82	Calculated Property
η	0.0005010	Pa×s	401.28	Calculated Property
η	0.0003447	Pa×s	423.74	Calculated Property
η	0.0002462	Pa×s	446.19	Calculated Property

Similar Compounds

Find more compounds similar to 2-Propanol, 1-chloro-3-ethoxy-.

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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