Chemical Properties of Propanoic acid, pentachloro-, methyl ester (CAS 813-46-7)

InChI

InChI=1S/C4H3Cl5O2/c1-11-2(10)3(5,6)4(7,8)9/h1H3

InChI Key

YSCHNGJMUJYQJG-UHFFFAOYSA-N

Formula

C4H3Cl5O2

SMILES

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

Molecular Weight¹

260.33

CAS

813-46-7

Other Names

• Methyl pentachloro-propanoate

• 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°	-305.09	kJ/mol	Joback Calculated Property
ΔfH°gas	-466.89	kJ/mol	Joback Calculated Property
ΔfusH°	15.06	kJ/mol	Joback Calculated Property
ΔvapH°	52.99	kJ/mol	Joback Calculated Property
log10WS	-2.83		Crippen Calculated Property
logPoct/wat	2.703		Crippen Calculated Property
McVol	135.860	ml/mol	McGowan Calculated Property
Pc	3448.03	kPa	Joback Calculated Property
Inp	[1260.00; 1275.00]
Inp	1275.00		NIST
Inp	1271.00		NIST
Inp	1275.00		NIST
Inp	1260.00		NIST
Inp	1275.00		NIST
Tboil	547.90	K	Joback Calculated Property
Tc	787.31	K	Joback Calculated Property
Tfus	361.44	K	Joback Calculated Property
Vc	0.506	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[237.96; 265.66]	J/mol×K	[547.90; 787.31]
Cp,gas	237.96	J/mol×K	547.90	Joback Calculated Property
Cp,gas	244.16	J/mol×K	587.80	Joback Calculated Property
Cp,gas	249.65	J/mol×K	627.70	Joback Calculated Property
Cp,gas	254.48	J/mol×K	667.61	Joback Calculated Property
Cp,gas	258.72	J/mol×K	707.51	Joback Calculated Property
Cp,gas	262.43	J/mol×K	747.41	Joback Calculated Property
Cp,gas	265.66	J/mol×K	787.31	Joback Calculated Property
η	[0.0002793; 0.0026580]	Pa×s	[361.44; 547.90]
η	0.0026580	Pa×s	361.44	Joback Calculated Property
η	0.0015736	Pa×s	392.52	Joback Calculated Property
η	0.0010061	Pa×s	423.59	Joback Calculated Property
η	0.0006838	Pa×s	454.67	Joback Calculated Property
η	0.0004883	Pa×s	485.75	Joback Calculated Property
η	0.0003631	Pa×s	516.82	Joback Calculated Property
η	0.0002793	Pa×s	547.90	Joback Calculated Property

Similar Compounds

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

Sources

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

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