Chemical Properties of 2-Propanol, 1-chloro-3-methoxy- (CAS 4151-97-7)

InChI

InChI=1S/C4H9ClO2/c1-7-3-4(6)2-5/h4,6H,2-3H2,1H3

InChI Key

FOLYKNXDLNPWGC-UHFFFAOYSA-N

Formula

C4H9ClO2

SMILES

COCC(O)CCl

Molecular Weight¹

124.57

CAS

4151-97-7

Other Names

• 1-Chloro-3-methoxypropan-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).
• Δ_vapH° : Enthalpy of vaporization 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).
• P_c : Critical Pressure (kPa).
• I_np : Non-polar retention indices.
• T_boil : Normal Boiling Point Temperature (K).
• T_c : Critical Temperature (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔfusH°	12.07	kJ/mol	Joback Calculated Property
ΔvapH°	57.34	kJ/mol	Relay (1.0) Calculated Property
log10WS	0.60		Relay (1.0) Calculated Property
logPoct/wat	0.233		Crippen Calculated Property
McVol	91.200	ml/mol	McGowan Calculated Property
Pc	4130.29	kPa	Joback Calculated Property
Inp	[900.00; 904.00]
Inp	900.00		NIST
Inp	904.00		NIST
Inp	900.00		NIST
Inp	904.00		NIST
Tboil	440.69	K	Relay (1.0) Calculated Property
Tc	643.47	K	Relay (1.0) Calculated Property

Cheméo can also estimate Normal melting (fusion) point, Critical Volume, Enthalpy of formation 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	[131.33; 271.67]	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			4.12520e+01
Coefficient B			3.67320e-01
Coefficient C			-1.36800e-04
Coefficient D			-1.00000e-10
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	131.33	J/mol×K	273.00	Calculated Property
Cp,gas	154.08	J/mol×K	353.78	Calculated Property
Cp,gas	175.03	J/mol×K	434.56	Calculated Property
Cp,gas	194.20	J/mol×K	515.33	Calculated Property
Cp,gas	211.58	J/mol×K	596.11	Calculated Property
Cp,gas	227.18	J/mol×K	676.89	Calculated Property
Cp,gas	240.98	J/mol×K	757.67	Calculated Property
Cp,gas	253.00	J/mol×K	838.44	Calculated Property
Cp,gas	263.23	J/mol×K	919.22	Calculated Property
Cp,gas	271.67	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0605720; 0.0002713]	Pa×s	[232.81; 431.03]	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			-1.45642e+01
Coefficient B			2.73790e+03
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Temperature range, min.			232.81
Temperature range, max.			431.03
η	0.0605720	Pa×s	232.81	Calculated Property
η	0.0219204	Pa×s	254.83	Calculated Property
η	0.0093252	Pa×s	276.86	Calculated Property
η	0.0044996	Pa×s	298.88	Calculated Property
η	0.0023996	Pa×s	320.91	Calculated Property
η	0.0013873	Pa×s	342.93	Calculated Property
η	0.0008569	Pa×s	364.96	Calculated Property
η	0.0005591	Pa×s	386.98	Calculated Property
η	0.0003820	Pa×s	409.01	Calculated Property
η	0.0002713	Pa×s	431.03	Calculated Property

Similar Compounds

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

Sources

• Cheméo Relay (1.0)
• 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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