Chemical Properties of Dimethyl 2,3,4,4-tetrachloro-2-pentenedioate

InChI

InChI=1S/C7H6Cl4O4/c1-14-5(12)3(8)4(9)7(10,11)6(13)15-2/h1-2H3/b4-3+

InChI Key

SBIOMHBKZIAVLQ-ONEGZZNKSA-N

Formula

C7H6Cl4O4

SMILES

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

Molecular Weight¹

295.93

• ω : Acentric Factor.
• C_p,gas : Ideal gas heat capacity (J/mol×K).
• 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.
• 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	0.4926		Relay (1.0) Calculated Property
ΔfG°	-441.54	kJ/mol	Joback Calculated Property
ΔfH°gas	-710.71	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	26.42	kJ/mol	Joback Calculated Property
ΔvapH°	69.05	kJ/mol	Relay (1.0) Calculated Property
IE	9.77	eV	Relay (1.0) Calculated Property
log10WS	-3.77		Relay (1.0) Calculated Property
logPoct/wat	2.196		Crippen Calculated Property
McVol	169.030	ml/mol	McGowan Calculated Property
Pc	2875.03	kPa	Joback Calculated Property
Inp	[1496.00; 1496.00]
Inp	1496.00		NIST
Inp	1496.00		NIST
Tboil	528.72	K	Relay (1.0) Calculated Property
Tc	756.41	K	Relay (1.0) Calculated Property
Tfus	329.22	K	Relay (1.0) Calculated Property
Vc	0.594	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[349.71; 387.57]	J/mol×K	[662.55; 892.33]
Cp,gas	349.71	J/mol×K	662.55	Joback Calculated Property
Cp,gas	357.54	J/mol×K	700.85	Joback Calculated Property
Cp,gas	364.71	J/mol×K	739.14	Joback Calculated Property
Cp,gas	371.26	J/mol×K	777.44	Joback Calculated Property
Cp,gas	377.23	J/mol×K	815.74	Joback Calculated Property
Cp,gas	382.66	J/mol×K	854.03	Joback Calculated Property
Cp,gas	387.57	J/mol×K	892.33	Joback Calculated Property

Similar Compounds

Find more compounds similar to Dimethyl 2,3,4,4-tetrachloro-2-pentenedioate.

Sources

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

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