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

InChI

InChI=1S/C18H24F2O4/c1-4-5-16(12(2)3)24-18(22)9-8-17(21)23-11-13-6-7-14(19)15(20)10-13/h6-7,10,12,16H,4-5,8-9,11H2,1-3H3

InChI Key

CDIXBNSQQRVYHX-UHFFFAOYSA-N

Formula

C18H24F2O4

SMILES

CCCC(OC(=O)CCC(=O)OCc1ccc(F)c(F)c1)C(C)C

Molecular Weight¹

342.38

• 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°	-668.51	kJ/mol	Joback Calculated Property
ΔfH°gas	-1093.64	kJ/mol	Joback Calculated Property
ΔfusH°	40.33	kJ/mol	Joback Calculated Property
ΔvapH°	75.16	kJ/mol	Joback Calculated Property
log10WS	-5.21		Crippen Calculated Property
logPoct/wat	4.156		Crippen Calculated Property
McVol	259.140	ml/mol	McGowan Calculated Property
Pc	1449.04	kPa	Joback Calculated Property
Inp	[2083.00; 2083.00]
Inp	2083.00		NIST
Inp	2083.00		NIST
Tboil	798.12	K	Joback Calculated Property
Tc	992.81	K	Joback Calculated Property
Tfus	459.58	K	Joback Calculated Property
Vc	1.008	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[776.69; 851.52]	J/mol×K	[798.12; 992.81]
Cp,gas	776.69	J/mol×K	798.12	Joback Calculated Property
Cp,gas	791.64	J/mol×K	830.57	Joback Calculated Property
Cp,gas	805.59	J/mol×K	863.02	Joback Calculated Property
Cp,gas	818.54	J/mol×K	895.46	Joback Calculated Property
Cp,gas	830.50	J/mol×K	927.91	Joback Calculated Property
Cp,gas	841.49	J/mol×K	960.36	Joback Calculated Property
Cp,gas	851.52	J/mol×K	992.81	Joback Calculated Property

Similar Compounds

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

Sources

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

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