Chemical Properties of Propanoic acid, 2,2,3,3-tetrachloro-, methyl ester (CAS 20618-05-7)

InChI

InChI=1S/C4H4Cl4O2/c1-10-3(9)4(7,8)2(5)6/h2H,1H3

InChI Key

UQYYMXYJSOOLLA-UHFFFAOYSA-N

Formula

C4H4Cl4O2

SMILES

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

Molecular Weight¹

225.88

CAS

20618-05-7

• 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°	-298.44	kJ/mol	Joback Calculated Property
ΔfH°gas	-447.68	kJ/mol	Joback Calculated Property
ΔfusH°	14.75	kJ/mol	Joback Calculated Property
ΔvapH°	49.51	kJ/mol	Joback Calculated Property
log10WS	-2.19		Crippen Calculated Property
logPoct/wat	2.137		Crippen Calculated Property
McVol	123.620	ml/mol	McGowan Calculated Property
Pc	3555.77	kPa	Joback Calculated Property
Inp	[1149.00; 1157.00]
Inp	1156.00		NIST
Inp	1157.00		NIST
Inp	1156.00		NIST
Inp	1149.00		NIST
Tboil	513.26	K	Joback Calculated Property
Tc	738.13	K	Joback Calculated Property
Tfus	314.10	K	Joback Calculated Property
Vc	0.463	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[215.59; 248.23]	J/mol×K	[513.26; 738.13]
Cp,gas	215.59	J/mol×K	513.26	Joback Calculated Property
Cp,gas	222.27	J/mol×K	550.74	Joback Calculated Property
Cp,gas	228.42	J/mol×K	588.22	Joback Calculated Property
Cp,gas	234.07	J/mol×K	625.69	Joback Calculated Property
Cp,gas	239.23	J/mol×K	663.17	Joback Calculated Property
Cp,gas	243.95	J/mol×K	700.65	Joback Calculated Property
Cp,gas	248.23	J/mol×K	738.13	Joback Calculated Property
η	[0.0003143; 0.0038064]	Pa×s	[314.10; 513.26]
η	0.0038064	Pa×s	314.10	Joback Calculated Property
η	0.0020592	Pa×s	347.29	Joback Calculated Property
η	0.0012400	Pa×s	380.49	Joback Calculated Property
η	0.0008101	Pa×s	413.68	Joback Calculated Property
η	0.0005637	Pa×s	446.87	Joback Calculated Property
η	0.0004125	Pa×s	480.07	Joback Calculated Property
η	0.0003143	Pa×s	513.26	Joback Calculated Property

Similar Compounds

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

Sources

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

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