Chemical Properties of Fumaric acid, decyl 2,3,5-trichlorophenyl ester

InChI

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

InChI Key

LWPBKWZRDHPSKM-ZHACJKMWSA-N

Formula

C20H25Cl3O4

SMILES

CCCCCCCCCCOC(=O)C=CC(=O)Oc1cc(Cl)cc(Cl)c1Cl

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	1.0500		Relay (... Calculated Property
ΔfG°	-222.37	kJ/mol	Joback Calculated Property
ΔfH°gas	-808.12	kJ/mol	Relay (... Calculated Property
ΔfusH°	58.80	kJ/mol	Joback Calculated Property
ΔvapH°	117.63	kJ/mol	Relay (... Calculated Property
IE	9.07	eV	Relay (... Calculated Property
log10WS	-7.90		Relay (... Calculated Property
logPoct/wat	6.792		Crippen Calculated Property
McVol	316.200	ml/mol	McGowan Calculated Property
Pc	1258.37	kPa	Joback Calculated Property
Inp	[2981.00; 2981.00]
Inp	2981.00		NIST
Inp	2981.00		NIST
Tboil	650.89	K	Relay (... Calculated Property
Tc	899.17	K	Relay (... Calculated Property
Tfus	324.44	K	Relay (... Calculated Property
Vc	1.141	m3/kmol	Relay (... Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[922.06; 979.20]	J/mol×K	[967.65; 1189.54]
Cp,gas	922.06	J/mol×K	967.65	Joback Calculated Property
Cp,gas	934.23	J/mol×K	1004.63	Joback Calculated Property
Cp,gas	945.29	J/mol×K	1041.61	Joback Calculated Property
Cp,gas	955.28	J/mol×K	1078.60	Joback Calculated Property
Cp,gas	964.23	J/mol×K	1115.58	Joback Calculated Property
Cp,gas	972.20	J/mol×K	1152.56	Joback Calculated Property
Cp,gas	979.20	J/mol×K	1189.54	Joback Calculated Property
η	[0.0000311; 0.0002335]	Pa×s	[608.14; 967.65]
η	0.0002335	Pa×s	608.14	Joback Calculated Property
η	0.0001435	Pa×s	668.06	Joback Calculated Property
η	0.0000956	Pa×s	727.98	Joback Calculated Property
η	0.0000677	Pa×s	787.89	Joback Calculated Property
η	0.0000504	Pa×s	847.81	Joback Calculated Property
η	0.0000389	Pa×s	907.73	Joback Calculated Property
η	0.0000311	Pa×s	967.65	Joback Calculated Property

Similar Compounds

Find more compounds similar to Fumaric acid, decyl 2,3,5-trichlorophenyl ester.

Sources

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

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