Chemical Properties of Fumaric acid, 3-methylbutyl 2,4,6-trichlorophenyl ester

InChI

InChI=1S/C15H15Cl3O4/c1-9(2)5-6-21-13(19)3-4-14(20)22-15-11(17)7-10(16)8-12(15)18/h3-4,7-9H,5-6H2,1-2H3/b4-3+

InChI Key

HWGBOSXEIFMYRK-ONEGZZNKSA-N

Formula

C15H15Cl3O4

SMILES

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

Molecular Weight¹

365.64

• 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	0.8073		Relay (1.0) Calculated Property
ΔfG°	-266.91	kJ/mol	Joback Calculated Property
ΔfH°gas	-693.75	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	42.32	kJ/mol	Joback Calculated Property
ΔvapH°	98.83	kJ/mol	Relay (1.0) Calculated Property
IE	9.22	eV	Relay (1.0) Calculated Property
log10WS	-6.07		Relay (1.0) Calculated Property
logPoct/wat	4.698		Crippen Calculated Property
McVol	245.750	ml/mol	McGowan Calculated Property
Pc	1840.41	kPa	Joback Calculated Property
Inp	[2317.00; 2317.00]
Inp	2317.00		NIST
Inp	2317.00		NIST
Tboil	593.08	K	Relay (1.0) Calculated Property
Tc	848.49	K	Relay (1.0) Calculated Property
Tfus	332.39	K	Relay (1.0) Calculated Property
Vc	0.857	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[637.91; 689.48]	J/mol×K	[852.81; 1077.69]
Cp,gas	637.91	J/mol×K	852.81	Joback Calculated Property
Cp,gas	648.82	J/mol×K	890.29	Joback Calculated Property
Cp,gas	658.78	J/mol×K	927.77	Joback Calculated Property
Cp,gas	667.80	J/mol×K	965.25	Joback Calculated Property
Cp,gas	675.91	J/mol×K	1002.73	Joback Calculated Property
Cp,gas	683.13	J/mol×K	1040.21	Joback Calculated Property
Cp,gas	689.48	J/mol×K	1077.69	Joback Calculated Property
η	[0.0000588; 0.0004255]	Pa×s	[536.79; 852.81]
η	0.0004255	Pa×s	536.79	Joback Calculated Property
η	0.0002640	Pa×s	589.46	Joback Calculated Property
η	0.0001772	Pa×s	642.13	Joback Calculated Property
η	0.0001263	Pa×s	694.80	Joback Calculated Property
η	0.0000944	Pa×s	747.47	Joback Calculated Property
η	0.0000734	Pa×s	800.14	Joback Calculated Property
η	0.0000588	Pa×s	852.81	Joback Calculated Property

Similar Compounds

Find more compounds similar to Fumaric acid, 3-methylbutyl 2,4,6-trichlorophenyl ester.

Sources

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

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