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°	15.94	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	3107.10	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.

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[246.79; 300.62]	J/mol×K	[472.38; 660.04]
Cp,gas	246.79	J/mol×K	472.38	Joback Calculated Property
Cp,gas	256.58	J/mol×K	503.66	Joback Calculated Property
Cp,gas	266.06	J/mol×K	534.93	Joback Calculated Property
Cp,gas	275.21	J/mol×K	566.21	Joback Calculated Property
Cp,gas	284.03	J/mol×K	597.49	Joback Calculated Property
Cp,gas	292.50	J/mol×K	628.76	Joback Calculated Property
Cp,gas	300.62	J/mol×K	660.04	Joback Calculated Property
η	[0.0002394; 0.0031323]	Pa×s	[266.69; 472.38]
η	0.0031323	Pa×s	266.69	Joback Calculated Property
η	0.0015986	Pa×s	300.97	Joback Calculated Property
η	0.0009362	Pa×s	335.25	Joback Calculated Property
η	0.0006055	Pa×s	369.53	Joback Calculated Property
η	0.0004217	Pa×s	403.82	Joback Calculated Property
η	0.0003108	Pa×s	438.10	Joback Calculated Property
η	0.0002394	Pa×s	472.38	Joback 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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