Chemical Properties of Propanoic acid, 2,2-dichloro-, methyl ester (CAS 17640-02-7)

InChI

InChI=1S/C4H6Cl2O2/c1-4(5,6)3(7)8-2/h1-2H3

InChI Key

RDYUJBOUMXIDPY-UHFFFAOYSA-N

Formula

C4H6Cl2O2

SMILES

COC(=O)C(C)(Cl)Cl

Molecular Weight¹

157.00

CAS

17640-02-7

Other Names

• Propionic acid, 2,2-dichloro-, methyl ester
• Methyl 2,2-dichloropropionate
• 2,2-Dichloropropanoic acid methyl ester

• 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).
• 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).
• V_c : Critical Volume (m³/kmol).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔfG°	-272.14	kJ/mol	Joback Calculated Property
ΔfH°gas	-410.92	kJ/mol	Joback Calculated Property
ΔfusH°	9.88	kJ/mol	Joback Calculated Property
ΔvapH°	41.13	kJ/mol	Joback Calculated Property
log10WS	-1.27		Crippen Calculated Property
logPoct/wat	1.353		Crippen Calculated Property
McVol	99.140	ml/mol	McGowan Calculated Property
Pc	3853.09	kPa	Joback Calculated Property
Inp	[848.00; 859.00]
Inp	859.00		NIST
Inp	854.00		NIST
Inp	859.00		NIST
Inp	848.00		NIST
Inp	859.00		NIST
Tboil	438.84	K	Joback Calculated Property
Tc	646.71	K	Joback Calculated Property
Tfus	269.26	K	Joback Calculated Property
Vc	0.370	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[175.01; 213.99]	J/mol×K	[438.84; 646.71]
Cp,gas	175.01	J/mol×K	438.84	Joback Calculated Property
Cp,gas	182.58	J/mol×K	473.49	Joback Calculated Property
Cp,gas	189.70	J/mol×K	508.13	Joback Calculated Property
Cp,gas	196.39	J/mol×K	542.78	Joback Calculated Property
Cp,gas	202.66	J/mol×K	577.42	Joback Calculated Property
Cp,gas	208.52	J/mol×K	612.07	Joback Calculated Property
Cp,gas	213.99	J/mol×K	646.71	Joback Calculated Property
η	[0.0003682; 0.0038664]	Pa×s	[269.26; 438.84]
η	0.0038664	Pa×s	269.26	Joback Calculated Property
η	0.0021689	Pa×s	297.52	Joback Calculated Property
η	0.0013451	Pa×s	325.79	Joback Calculated Property
η	0.0009003	Pa×s	354.05	Joback Calculated Property
η	0.0006394	Pa×s	382.31	Joback Calculated Property
η	0.0004761	Pa×s	410.58	Joback Calculated Property
η	0.0003682	Pa×s	438.84	Joback Calculated Property

Similar Compounds

Find more compounds similar to Propanoic acid, 2,2-dichloro-, methyl ester.

Sources

• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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