Chemical Properties of Fumaric acid, 2,4,6-trichlorophenyl dec-2-yl ester

InChI

InChI=1S/C20H25Cl3O4/c1-3-4-5-6-7-8-9-14(2)26-18(24)10-11-19(25)27-20-16(22)12-15(21)13-17(20)23/h10-14H,3-9H2,1-2H3/b11-10+

InChI Key

GXRQJDLLNGSBBD-ZHACJKMWSA-N

Formula

C20H25Cl3O4

SMILES

CCCCCCCCC(C)OC(=O)C=CC(=O)Oc1c(Cl)cc(Cl)cc1Cl

Molecular Weight¹

435.77

• ω : Acentric Factor.
• 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).
• 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	0.9982		Relay (... Calculated Property
ΔfG°	-224.81	kJ/mol	Joback Calculated Property
ΔfH°gas	-808.69	kJ/mol	Relay (... Calculated Property
ΔfusH°	55.27	kJ/mol	Joback Calculated Property
ΔvapH°	113.90	kJ/mol	Relay (... Calculated Property
IE	9.07	eV	Relay (... Calculated Property
log10WS	-7.49		Relay (... Calculated Property
logPoct/wat	6.791		Crippen Calculated Property
McVol	316.200	ml/mol	McGowan Calculated Property
Pc	1265.55	kPa	Joback Calculated Property
Inp	[2783.00; 2783.00]
Inp	2783.00		NIST
Inp	2783.00		NIST
Tboil	621.47	K	Relay (... Calculated Property
Tc	884.34	K	Relay (... Calculated Property
Tfus	328.27	K	Relay (... Calculated Property
Vc	1.131	m3/kmol	Relay (... Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[922.51; 979.32]	J/mol×K	[967.21; 1190.31]
Cp,gas	922.51	J/mol×K	967.21	Joback Calculated Property
Cp,gas	934.69	J/mol×K	1004.39	Joback Calculated Property
Cp,gas	945.73	J/mol×K	1041.58	Joback Calculated Property
Cp,gas	955.67	J/mol×K	1078.76	Joback Calculated Property
Cp,gas	964.56	J/mol×K	1115.94	Joback Calculated Property
Cp,gas	972.43	J/mol×K	1153.13	Joback Calculated Property
Cp,gas	979.32	J/mol×K	1190.31	Joback Calculated Property
η	[0.0000283; 0.0002497]	Pa×s	[593.14; 967.21]
η	0.0002497	Pa×s	593.14	Joback Calculated Property
η	0.0001462	Pa×s	655.49	Joback Calculated Property
η	0.0000939	Pa×s	717.83	Joback Calculated Property
η	0.0000648	Pa×s	780.17	Joback Calculated Property
η	0.0000472	Pa×s	842.52	Joback Calculated Property
η	0.0000359	Pa×s	904.87	Joback Calculated Property
η	0.0000283	Pa×s	967.21	Joback Calculated Property

Similar Compounds

Find more compounds similar to Fumaric acid, 2,4,6-trichlorophenyl dec-2-yl ester.

Sources

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

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