Chemical Properties of 1-Chloro-3-methoxypropan-2-yl acetate

InChI

InChI=1S/C6H11ClO3/c1-5(8)10-6(3-7)4-9-2/h6H,3-4H2,1-2H3

InChI Key

KYQXJEOUFXTRCZ-UHFFFAOYSA-N

Formula

C6H11ClO3

SMILES

COCC(CCl)OC(C)=O

Molecular Weight¹

166.60

Other Names

• 2-Propanol, 1-chloro-3-methoxy-, acetate

• 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).
• P_c : Critical Pressure (kPa).
• I_np : Non-polar retention indices.
• T_boil : Normal Boiling Point Temperature (K).
• T_c : Critical Temperature (K).
• T_fus : Normal melting (fusion) point (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔfusH°	17.53	kJ/mol	Joback Calculated Property
log10WS	-0.68		Relay (1.0) Calculated Property
logPoct/wat	0.803		Crippen Calculated Property
McVol	120.950	ml/mol	McGowan Calculated Property
Pc	2969.80	kPa	Joback Calculated Property
Inp	[1075.00; 1075.00]
Inp	1075.00		NIST
Inp	1075.00		NIST
Tboil	462.82	K	Relay (1.0) Calculated Property
Tc	643.63	K	Relay (1.0) Calculated Property
Tfus	238.96	K	Relay (1.0) Calculated Property

Cheméo can also estimate 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	[177.60; 364.29]	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			5.95520e+01
Coefficient B			4.68540e-01
Coefficient C			-1.20600e-04
Coefficient D			-4.32000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	177.60	J/mol×K	273.00	Calculated Property
Cp,gas	208.30	J/mol×K	353.78	Calculated Property
Cp,gas	236.84	J/mol×K	434.56	Calculated Property
Cp,gas	263.07	J/mol×K	515.33	Calculated Property
Cp,gas	286.85	J/mol×K	596.11	Calculated Property
Cp,gas	308.05	J/mol×K	676.89	Calculated Property
Cp,gas	326.53	J/mol×K	757.67	Calculated Property
Cp,gas	342.15	J/mol×K	838.44	Calculated Property
Cp,gas	354.79	J/mol×K	919.22	Calculated Property
Cp,gas	364.29	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0057317; 0.0002407]	Pa×s	[236.86; 447.24]	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			-1.19014e+01
Coefficient B			1.59635e+03
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Temperature range, min.			236.86
Temperature range, max.			447.24
η	0.0057317	Pa×s	236.86	Calculated Property
η	0.0031287	Pa×s	260.24	Calculated Property
η	0.0018871	Pa×s	283.61	Calculated Property
η	0.0012293	Pa×s	306.99	Calculated Property
η	0.0008509	Pa×s	330.36	Calculated Property
η	0.0006183	Pa×s	353.74	Calculated Property
η	0.0004674	Pa×s	377.11	Calculated Property
η	0.0003651	Pa×s	400.49	Calculated Property
η	0.0002930	Pa×s	423.87	Calculated Property
η	0.0002407	Pa×s	447.24	Calculated Property

Similar Compounds

Find more compounds similar to 1-Chloro-3-methoxypropan-2-yl acetate.

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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