Chemical Properties of Succinic acid, 1-(2,6-difluorophenyl)ethyl pentyl ester

InChI

InChI=1S/C17H22F2O4/c1-3-4-5-11-22-15(20)9-10-16(21)23-12(2)17-13(18)7-6-8-14(17)19/h6-8,12H,3-5,9-11H2,1-2H3

InChI Key

SJQYZBKFDWTYPU-UHFFFAOYSA-N

Formula

C17H22F2O4

SMILES

CCCCCOC(=O)CCC(=O)OC(C)c1c(F)cccc1F

Molecular Weight¹

328.35

• 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°	-674.49	kJ/mol	Joback Calculated Property
ΔfH°gas	-1067.72	kJ/mol	Joback Calculated Property
ΔfusH°	41.26	kJ/mol	Joback Calculated Property
ΔvapH°	73.33	kJ/mol	Joback Calculated Property
log10WS	-4.89		Crippen Calculated Property
logPoct/wat	4.083		Crippen Calculated Property
McVol	245.050	ml/mol	McGowan Calculated Property
Pc	1551.22	kPa	Joback Calculated Property
Inp	[2031.00; 2031.00]
Inp	2031.00		NIST
Inp	2031.00		NIST
Tboil	775.68	K	Joback Calculated Property
Tc	968.23	K	Joback Calculated Property
Tfus	463.31	K	Joback Calculated Property
Vc	0.958	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[719.39; 792.54]	J/mol×K	[775.68; 968.23]
Cp,gas	719.39	J/mol×K	775.68	Joback Calculated Property
Cp,gas	733.89	J/mol×K	807.77	Joback Calculated Property
Cp,gas	747.45	J/mol×K	839.86	Joback Calculated Property
Cp,gas	760.09	J/mol×K	871.96	Joback Calculated Property
Cp,gas	771.81	J/mol×K	904.05	Joback Calculated Property
Cp,gas	782.62	J/mol×K	936.14	Joback Calculated Property
Cp,gas	792.54	J/mol×K	968.23	Joback Calculated Property

Similar Compounds

Find more compounds similar to Succinic acid, 1-(2,6-difluorophenyl)ethyl pentyl ester.

Sources

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

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