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

InChI

InChI=1S/C19H26F2O4/c1-3-4-5-6-7-13-24-17(22)11-12-18(23)25-14(2)19-15(20)9-8-10-16(19)21/h8-10,14H,3-7,11-13H2,1-2H3

InChI Key

SSGKYFPDODDFKC-UHFFFAOYSA-N

Formula

C19H26F2O4

SMILES

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

Molecular Weight¹

356.40

• ω : Acentric Factor.
• 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).
• 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	0.8934		Relay (1.0) Calculated Property
ΔfG°	-657.65	kJ/mol	Joback Calculated Property
ΔfH°gas	-1189.51	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	46.44	kJ/mol	Joback Calculated Property
ΔvapH°	97.23	kJ/mol	Relay (1.0) Calculated Property
IE	8.95	eV	Relay (1.0) Calculated Property
log10WS	-5.29		Relay (1.0) Calculated Property
logPoct/wat	4.863		Crippen Calculated Property
McVol	273.230	ml/mol	McGowan Calculated Property
Pc	1340.78	kPa	Joback Calculated Property
Inp	[2231.00; 2231.00]
Inp	2231.00		NIST
Inp	2231.00		NIST
Tboil	605.23	K	Relay (1.0) Calculated Property
Tc	798.14	K	Relay (1.0) Calculated Property
Tfus	303.57	K	Relay (1.0) Calculated Property
Vc	1.018	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[833.81; 909.29]	J/mol×K	[821.44; 1015.17]
Cp,gas	833.81	J/mol×K	821.44	Joback Calculated Property
Cp,gas	848.92	J/mol×K	853.73	Joback Calculated Property
Cp,gas	863.00	J/mol×K	886.02	Joback Calculated Property
Cp,gas	876.06	J/mol×K	918.30	Joback Calculated Property
Cp,gas	888.12	J/mol×K	950.59	Joback Calculated Property
Cp,gas	899.19	J/mol×K	982.88	Joback Calculated Property
Cp,gas	909.29	J/mol×K	1015.17	Joback Calculated Property

Similar Compounds

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

Sources

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

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