Chemical Properties of Methanol, chloro-, acetate (CAS 625-56-9)

InChI

InChI=1S/C3H5ClO2/c1-3(5)6-2-4/h2H2,1H3

InChI Key

SMJYMSAPPGLBAR-UHFFFAOYSA-N

Formula

C3H5ClO2

SMILES

CC(=O)OCCl

Molecular Weight¹

108.52

CAS

625-56-9

Other Names

• Chloromethyl ethanoate
• Chloromethyl acetate

• ω : Acentric Factor.
• C_p,gas : Ideal gas heat capacity (J/mol×K).
• η : Dynamic viscosity (Pa×s).
• Δ_fG° : Standard Gibbs free energy of formation (kJ/mol).
• Δ_fH°_gas : Enthalpy of formation at standard conditions (kJ/mol).
• 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).
• P_c : Critical Pressure (kPa).
• I_np : Non-polar retention indices.
• I : Polar retention indices.
• T_boil : Normal Boiling Point Temperature (K).
• T_c : Critical Temperature (K).
• T_fus : Normal melting (fusion) point (K).
• V_c : Critical Volume (m³/kmol).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ω	0.3514		Relay (1.0) Calculated Property
ΔfG°	-347.92	kJ/mol	Joback Calculated Property
ΔfH°gas	-465.99	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	12.09	kJ/mol	Joback Calculated Property
ΔvapH°	41.04	kJ/mol	Relay (1.0) Calculated Property
IE	10.32	eV	Relay (1.0) Calculated Property
log10WS	-0.62		Relay (1.0) Calculated Property
logPoct/wat	0.746		Crippen Calculated Property
McVol	72.810	ml/mol	McGowan Calculated Property
Pc	4227.54	kPa	Joback Calculated Property
Inp	[674.00; 691.00]
Inp	674.00		NIST
Inp	680.00		NIST
Inp	674.00		NIST
Inp	691.00		NIST
Inp	680.00		NIST
I	[1164.00; 1181.00]
I	1164.00		NIST
I	1174.00		NIST
I	1181.00		NIST
I	1180.00		NIST
I	1164.00		NIST
Tboil	391.33	K	Relay (1.0) Calculated Property
Tc	586.39	K	Relay (1.0) Calculated Property
Tfus	214.09	K	Relay (1.0) Calculated Property
Vc	0.268	m3/kmol	Relay (1.0) Calculated Property

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[98.87; 190.48]	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			3.84610e+01
Coefficient B			2.40820e-01
Coefficient C			-6.52000e-05
Coefficient D			-2.36000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	98.87	J/mol×K	273.00	Calculated Property
Cp,gas	114.45	J/mol×K	353.78	Calculated Property
Cp,gas	128.86	J/mol×K	434.56	Calculated Property
Cp,gas	142.02	J/mol×K	515.33	Calculated Property
Cp,gas	153.85	J/mol×K	596.11	Calculated Property
Cp,gas	164.28	J/mol×K	676.89	Calculated Property
Cp,gas	173.23	J/mol×K	757.67	Calculated Property
Cp,gas	180.63	J/mol×K	838.44	Calculated Property
Cp,gas	186.41	J/mol×K	919.22	Calculated Property
Cp,gas	190.48	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0048924; 0.0002733]	Pa×s	[195.82; 383.62]	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			-1.12130e+01
Coefficient B			1.15396e+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.			195.82
Temperature range, max.			383.62
η	0.0048924	Pa×s	195.82	Calculated Property
η	0.0027738	Pa×s	216.69	Calculated Property
η	0.0017375	Pa×s	237.55	Calculated Property
η	0.0011737	Pa×s	258.42	Calculated Property
η	0.0008408	Pa×s	279.29	Calculated Property
η	0.0006309	Pa×s	300.15	Calculated Property
η	0.0004914	Pa×s	321.02	Calculated Property
η	0.0003946	Pa×s	341.88	Calculated Property
η	0.0003249	Pa×s	362.75	Calculated Property
η	0.0002733	Pa×s	383.62	Calculated Property

Similar Compounds

Find more compounds similar to Methanol, chloro-, acetate.

Sources

• Cheméo Relay (1.0)
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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