Chemical Properties of Propanoic acid, 2,3-dichloro-, methyl ester

InChI

InChI=1S/C4H6Cl2O2/c1-8-4(7)3(6)2-5/h3H,2H2,1H3

InChI Key

OFHMODDLBXETIK-UHFFFAOYSA-N

Formula

C4H6Cl2O2

SMILES

COC(=O)C(Cl)CCl

Molecular Weight¹

157.00

Other Names

• Propionic acid, 2,3-dichloro-, methyl ester
• Methyl «alpha»,«beta»-dichloropropionate
• Methyl 2,3-dichloropropanoate
• Methyl 2,3-dichloropropionate
• 2,3-Dichloropropionic acid, methyl ester

• ω : Acentric Factor.
• C_p,gas : Ideal gas heat capacity (J/mol×K).
• η : Dynamic viscosity (Pa×s).
• 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_boilr : Boiling point at reduced pressure (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	0.3781		Relay (1.0) Calculated Property
ΔfH°gas	-497.20	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	15.36	kJ/mol	Joback Calculated Property
ΔvapH°	53.03	kJ/mol	Relay (1.0) Calculated Property
IE	10.80	eV	Relay (1.0) Calculated Property
log10WS	-1.08		Relay (1.0) Calculated Property
logPoct/wat	1.006		Crippen Calculated Property
McVol	99.140	ml/mol	McGowan Calculated Property
Pc	3615.89	kPa	Joback Calculated Property
Inp	[924.00; 927.00]
Inp	927.00		NIST
Inp	924.00		NIST
Inp	927.00		NIST
Inp	927.00		NIST
Inp	925.00		NIST
Inp	927.00		NIST
I	[1491.00; 1491.00]
I	1491.00		NIST
I	1491.00		NIST
Tboil	434.05	K	Relay (1.0) Calculated Property
Tc	655.15	K	Relay (1.0) Calculated Property
Tfus	258.19	K	Relay (1.0) Calculated Property
Vc	0.348	m3/kmol	Relay (1.0) Calculated Property

Cheméo can also estimate Standard Gibbs free energy of formation for this compound, but it falls outside the models' validated range, so it is not shown here. Open the prediction tool to compute it on demand.

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[170.49; 208.91]	J/mol×K	[423.76; 619.25]
Cp,gas	170.49	J/mol×K	423.76	Joback Calculated Property
Cp,gas	177.68	J/mol×K	456.34	Joback Calculated Property
Cp,gas	184.56	J/mol×K	488.92	Joback Calculated Property
Cp,gas	191.12	J/mol×K	521.51	Joback Calculated Property
Cp,gas	197.36	J/mol×K	554.09	Joback Calculated Property
Cp,gas	203.29	J/mol×K	586.67	Joback Calculated Property
Cp,gas	208.91	J/mol×K	619.25	Joback Calculated Property
η	[0.0003249; 0.0073958]	Pa×s	[222.01; 423.76]
η	0.0073958	Pa×s	222.01	Joback Calculated Property
η	0.0031190	Pa×s	255.63	Joback Calculated Property
η	0.0016078	Pa×s	289.26	Joback Calculated Property
η	0.0009514	Pa×s	322.88	Joback Calculated Property
η	0.0006216	Pa×s	356.51	Joback Calculated Property
η	0.0004370	Pa×s	390.13	Joback Calculated Property
η	0.0003249	Pa×s	423.76	Joback Calculated Property

Pressure Dependent Properties

Similar Compounds

Find more compounds similar to Propanoic acid, 2,3-dichloro-, methyl ester.

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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