Chemical Properties of Fumaric acid, 2,4,4-trimethylpentyl 2,2-dichloroethyl ester

InChI

InChI=1S/C14H22Cl2O4/c1-10(7-14(2,3)4)8-19-12(17)5-6-13(18)20-9-11(15)16/h5-6,10-11H,7-9H2,1-4H3/b6-5+

InChI Key

WJXWYWHMMBZEFD-AATRIKPKSA-N

Formula

C14H22Cl2O4

SMILES

CC(COC(=O)C=CC(=O)OCC(Cl)Cl)CC(C)(C)C

Molecular Weight¹

325.23

• 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	0.7197		Relay (... Calculated Property
ΔfG°	-346.52	kJ/mol	Joback Calculated Property
ΔfH°gas	-933.28	kJ/mol	Relay (... Calculated Property
ΔfusH°	31.73	kJ/mol	Joback Calculated Property
ΔvapH°	83.22	kJ/mol	Relay (... Calculated Property
IE	10.12	eV	Relay (... Calculated Property
log10WS	-5.12		Relay (... Calculated Property
logPoct/wat	3.505		Crippen Calculated Property
McVol	243.180	ml/mol	McGowan Calculated Property
Pc	1656.49	kPa	Joback Calculated Property
Inp	[1950.00; 1950.00]
Inp	1950.00		NIST
Inp	1950.00		NIST
Tboil	584.66	K	Relay (... Calculated Property
Tc	759.15	K	Relay (... Calculated Property
Tfus	330.98	K	Relay (... Calculated Property
Vc	0.839	m3/kmol	Relay (... Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[660.23; 731.73]	J/mol×K	[747.21; 949.80]
Cp,gas	660.23	J/mol×K	747.21	Joback Calculated Property
Cp,gas	674.28	J/mol×K	780.97	Joback Calculated Property
Cp,gas	687.43	J/mol×K	814.74	Joback Calculated Property
Cp,gas	699.71	J/mol×K	848.50	Joback Calculated Property
Cp,gas	711.16	J/mol×K	882.27	Joback Calculated Property
Cp,gas	721.82	J/mol×K	916.03	Joback Calculated Property
Cp,gas	731.73	J/mol×K	949.80	Joback Calculated Property
η	[0.0000567; 0.0013155]	Pa×s	[419.04; 747.21]
η	0.0013155	Pa×s	419.04	Joback Calculated Property
η	0.0005756	Pa×s	473.74	Joback Calculated Property
η	0.0002988	Pa×s	528.43	Joback Calculated Property
η	0.0001754	Pa×s	583.12	Joback Calculated Property
η	0.0001128	Pa×s	637.82	Joback Calculated Property
η	0.0000778	Pa×s	692.52	Joback Calculated Property
η	0.0000567	Pa×s	747.21	Joback Calculated Property

Similar Compounds

Find more compounds similar to Fumaric acid, 2,4,4-trimethylpentyl 2,2-dichloroethyl ester.

Sources

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

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