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

InChI

InChI=1S/C15H15Cl3O4/c1-8(2)9(3)21-13(19)4-5-14(20)22-15-11(17)6-10(16)7-12(15)18/h4-9H,1-3H3/b5-4+

InChI Key

HGZXTIPLXICXFC-SNAWJCMRSA-N

Formula

C15H15Cl3O4

SMILES

CC(C)C(C)OC(=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	0.7647		Relay (1.0) Calculated Property
ΔfG°	-269.35	kJ/mol	Joback Calculated Property
ΔfH°gas	-704.43	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	38.80	kJ/mol	Joback Calculated Property
ΔvapH°	95.31	kJ/mol	Relay (1.0) Calculated Property
IE	9.11	eV	Relay (1.0) Calculated Property
log10WS	-5.83		Relay (1.0) Calculated Property
logPoct/wat	4.696		Crippen Calculated Property
McVol	245.750	ml/mol	McGowan Calculated Property
Pc	1853.11	kPa	Joback Calculated Property
Inp	[2256.00; 2256.00]
Inp	2256.00		NIST
Inp	2256.00		NIST
Tboil	582.67	K	Relay (1.0) Calculated Property
Tc	843.98	K	Relay (1.0) Calculated Property
Tfus	357.99	K	Relay (1.0) Calculated Property
Vc	0.851	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[638.51; 690.25]	J/mol×K	[852.37; 1080.38]
Cp,gas	638.51	J/mol×K	852.37	Joback Calculated Property
Cp,gas	649.54	J/mol×K	890.37	Joback Calculated Property
Cp,gas	659.59	J/mol×K	928.37	Joback Calculated Property
Cp,gas	668.66	J/mol×K	966.38	Joback Calculated Property
Cp,gas	676.78	J/mol×K	1004.38	Joback Calculated Property
Cp,gas	683.97	J/mol×K	1042.38	Joback Calculated Property
Cp,gas	690.25	J/mol×K	1080.38	Joback Calculated Property
η	[0.0000538; 0.0004665]	Pa×s	[521.79; 852.37]
η	0.0004665	Pa×s	521.79	Joback Calculated Property
η	0.0002741	Pa×s	576.89	Joback Calculated Property
η	0.0001767	Pa×s	631.98	Joback Calculated Property
η	0.0001222	Pa×s	687.08	Joback Calculated Property
η	0.0000893	Pa×s	742.18	Joback Calculated Property
η	0.0000681	Pa×s	797.27	Joback Calculated Property
η	0.0000538	Pa×s	852.37	Joback Calculated Property

Similar Compounds

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

Sources

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

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