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

InChI

InChI=1S/C19H15Cl3O4/c1-11(2)13-5-3-4-6-16(13)25-17(23)7-8-18(24)26-19-14(21)9-12(20)10-15(19)22/h3-11H,1-2H3/b8-7+

InChI Key

LNYOMCCTXRXPMO-BQYQJAHWSA-N

Formula

C19H15Cl3O4

SMILES

CC(C)c1ccccc1OC(=O)C=CC(=O)Oc1c(Cl)cc(Cl)cc1Cl

Molecular Weight¹

413.68

• 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°	-130.45	kJ/mol	Joback Calculated Property
ΔfH°gas	-433.19	kJ/mol	Joback Calculated Property
ΔfusH°	46.34	kJ/mol	Joback Calculated Property
ΔvapH°	96.12	kJ/mol	Joback Calculated Property
log10WS	-6.84		Crippen Calculated Property
logPoct/wat	5.837		Crippen Calculated Property
McVol	278.350	ml/mol	McGowan Calculated Property
Pc	1737.56	kPa	Joback Calculated Property
Inp	[2736.00; 2736.00]
Inp	2736.00		NIST
Inp	2736.00		NIST
Tboil	975.99	K	Joback Calculated Property
Tc	1222.57	K	Joback Calculated Property
Tfus	620.81	K	Joback Calculated Property
Vc	1.052	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[754.45; 794.72]	J/mol×K	[975.99; 1222.57]
Cp,gas	754.45	J/mol×K	975.99	Joback Calculated Property
Cp,gas	763.96	J/mol×K	1017.09	Joback Calculated Property
Cp,gas	772.28	J/mol×K	1058.18	Joback Calculated Property
Cp,gas	779.48	J/mol×K	1099.28	Joback Calculated Property
Cp,gas	785.58	J/mol×K	1140.38	Joback Calculated Property
Cp,gas	790.65	J/mol×K	1181.47	Joback Calculated Property
Cp,gas	794.72	J/mol×K	1222.57	Joback Calculated Property
η	[0.0000350; 0.0002318]	Pa×s	[620.81; 975.99]
η	0.0002318	Pa×s	620.81	Joback Calculated Property
η	0.0001474	Pa×s	680.01	Joback Calculated Property
η	0.0001008	Pa×s	739.20	Joback Calculated Property
η	0.0000730	Pa×s	798.40	Joback Calculated Property
η	0.0000552	Pa×s	857.60	Joback Calculated Property
η	0.0000433	Pa×s	916.79	Joback Calculated Property
η	0.0000350	Pa×s	975.99	Joback Calculated Property

Similar Compounds

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

Sources

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

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