Chemical Properties of Fumaric acid, 2,4-dichlorophenyl 2-methylpent-3-yl ester

InChI

InChI=1S/C16H18Cl2O4/c1-4-13(10(2)3)21-15(19)7-8-16(20)22-14-6-5-11(17)9-12(14)18/h5-10,13H,4H2,1-3H3/b8-7+

InChI Key

ZFVXWTUROXLRKB-BQYQJAHWSA-N

Formula

C16H18Cl2O4

SMILES

CCC(OC(=O)C=CC(=O)Oc1ccc(Cl)cc1Cl)C(C)C

Molecular Weight¹

345.22

• 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	0.7667		Relay (... Calculated Property
ΔfG°	-239.37	kJ/mol	Joback Calculated Property
ΔfH°gas	-730.89	kJ/mol	Relay (... Calculated Property
ΔfusH°	37.58	kJ/mol	Joback Calculated Property
ΔvapH°	94.74	kJ/mol	Relay (... Calculated Property
IE	8.88	eV	Relay (... Calculated Property
log10WS	-5.51		Relay (... Calculated Property
logPoct/wat	4.433		Crippen Calculated Property
McVol	247.600	ml/mol	McGowan Calculated Property
Pc	1784.86	kPa	Joback Calculated Property
Inp	[2247.00; 2247.00]
Inp	2247.00		NIST
Inp	2247.00		NIST
Tboil	603.85	K	Relay (... Calculated Property
Tc	832.64	K	Relay (... Calculated Property
Tfus	328.29	K	Relay (... Calculated Property
Vc	0.852	m3/kmol	Relay (... Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[673.33; 733.98]	J/mol×K	[832.84; 1054.61]
Cp,gas	673.33	J/mol×K	832.84	Joback Calculated Property
Cp,gas	685.92	J/mol×K	869.80	Joback Calculated Property
Cp,gas	697.48	J/mol×K	906.76	Joback Calculated Property
Cp,gas	708.03	J/mol×K	943.73	Joback Calculated Property
Cp,gas	717.62	J/mol×K	980.69	Joback Calculated Property
Cp,gas	726.26	J/mol×K	1017.65	Joback Calculated Property
Cp,gas	733.98	J/mol×K	1054.61	Joback Calculated Property
η	[0.0000534; 0.0005957]	Pa×s	[490.62; 832.84]
η	0.0005957	Pa×s	490.62	Joback Calculated Property
η	0.0003233	Pa×s	547.66	Joback Calculated Property
η	0.0001969	Pa×s	604.69	Joback Calculated Property
η	0.0001306	Pa×s	661.73	Joback Calculated Property
η	0.0000925	Pa×s	718.77	Joback Calculated Property
η	0.0000689	Pa×s	775.80	Joback Calculated Property
η	0.0000534	Pa×s	832.84	Joback Calculated Property

Similar Compounds

Find more compounds similar to Fumaric acid, 2,4-dichlorophenyl 2-methylpent-3-yl ester.

Sources

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

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