Chemical Properties of Fumaric acid, 3,5-dimethylphenyl 8-chlorooctyl ester

InChI

InChI=1S/C20H27ClO4/c1-16-13-17(2)15-18(14-16)25-20(23)10-9-19(22)24-12-8-6-4-3-5-7-11-21/h9-10,13-15H,3-8,11-12H2,1-2H3/b10-9+

InChI Key

UWXCZDVYGZAPDD-MDZDMXLPSA-N

Formula

C20H27ClO4

SMILES

Cc1cc(C)cc(OC(=O)C=CC(=O)OCCCCCCCCCl)c1

Molecular Weight¹

366.88

• 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	1.0144		Relay (1.0) Calculated Property
ΔfG°	-188.88	kJ/mol	Joback Calculated Property
ΔfH°gas	-790.61	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	50.79	kJ/mol	Joback Calculated Property
ΔvapH°	111.45	kJ/mol	Relay (1.0) Calculated Property
IE	8.85	eV	Relay (1.0) Calculated Property
log10WS	-6.47		Relay (1.0) Calculated Property
logPoct/wat	4.888		Crippen Calculated Property
McVol	291.720	ml/mol	McGowan Calculated Property
Pc	1341.76	kPa	Joback Calculated Property
Inp	[2812.00; 2812.00]
Inp	2812.00		NIST
Inp	2812.00		NIST
Tboil	639.25	K	Relay (1.0) Calculated Property
Tc	878.43	K	Relay (1.0) Calculated Property
Tfus	319.55	K	Relay (1.0) Calculated Property
Vc	1.047	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[876.67; 947.88]	J/mol×K	[887.81; 1097.74]
Cp,gas	876.67	J/mol×K	887.81	Joback Calculated Property
Cp,gas	891.14	J/mol×K	922.80	Joback Calculated Property
Cp,gas	904.52	J/mol×K	957.79	Joback Calculated Property
Cp,gas	916.85	J/mol×K	992.78	Joback Calculated Property
Cp,gas	928.16	J/mol×K	1027.76	Joback Calculated Property
Cp,gas	938.50	J/mol×K	1062.75	Joback Calculated Property
Cp,gas	947.88	J/mol×K	1097.74	Joback Calculated Property
η	[0.0000420; 0.0003892]	Pa×s	[535.78; 887.81]
η	0.0003892	Pa×s	535.78	Joback Calculated Property
η	0.0002236	Pa×s	594.45	Joback Calculated Property
η	0.0001419	Pa×s	653.12	Joback Calculated Property
η	0.0000971	Pa×s	711.79	Joback Calculated Property
η	0.0000704	Pa×s	770.47	Joback Calculated Property
η	0.0000534	Pa×s	829.14	Joback Calculated Property
η	0.0000420	Pa×s	887.81	Joback Calculated Property

Similar Compounds

Find more compounds similar to Fumaric acid, 3,5-dimethylphenyl 8-chlorooctyl ester.

Sources

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

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