Chemical Properties of Succinic acid, 2-methylhex-3-yl 2,3,4,5-tetrafluorobenzyl ester

InChI

InChI=1S/C18H22F4O4/c1-4-5-13(10(2)3)26-15(24)7-6-14(23)25-9-11-8-12(19)17(21)18(22)16(11)20/h8,10,13H,4-7,9H2,1-3H3

InChI Key

ISQGZYVRRPXLDH-UHFFFAOYSA-N

Formula

C18H22F4O4

SMILES

CCCC(OC(=O)CCC(=O)OCc1cc(F)c(F)c(F)c1F)C(C)C

Molecular Weight¹

378.36

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• 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°	-1077.39	kJ/mol	Joback Calculated Property
ΔfH°gas	-1508.80	kJ/mol	Joback Calculated Property
ΔfusH°	45.71	kJ/mol	Joback Calculated Property
ΔvapH°	74.85	kJ/mol	Joback Calculated Property
log10WS	-5.88		Crippen Calculated Property
logPoct/wat	4.434		Crippen Calculated Property
McVol	262.680	ml/mol	McGowan Calculated Property
Pc	1325.20	kPa	Joback Calculated Property
Inp	[1999.00; 1999.00]
Inp	1999.00		NIST
Inp	1999.00		NIST
Tboil	806.62	K	Joback Calculated Property
Tc	995.17	K	Joback Calculated Property
Tfus	485.80	K	Joback Calculated Property
Vc	1.044	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[790.17; 860.32]	J/mol×K	[806.62; 995.17]
Cp,gas	790.17	J/mol×K	806.62	Joback Calculated Property
Cp,gas	804.19	J/mol×K	838.05	Joback Calculated Property
Cp,gas	817.27	J/mol×K	869.47	Joback Calculated Property
Cp,gas	829.42	J/mol×K	900.90	Joback Calculated Property
Cp,gas	840.64	J/mol×K	932.32	Joback Calculated Property
Cp,gas	850.94	J/mol×K	963.75	Joback Calculated Property
Cp,gas	860.32	J/mol×K	995.17	Joback Calculated Property

Similar Compounds

Find more compounds similar to Succinic acid, 2-methylhex-3-yl 2,3,4,5-tetrafluorobenzyl ester.

Sources

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

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