Chemical Properties of Succinic acid, 2-fluoro-6-(trifluoromethyl)benzyl nonyl ester

InChI

InChI=1S/C21H28F4O4/c1-2-3-4-5-6-7-8-14-28-19(26)12-13-20(27)29-15-16-17(21(23,24)25)10-9-11-18(16)22/h9-11H,2-8,12-15H2,1H3

InChI Key

XQJIOIWOVXEUMU-UHFFFAOYSA-N

Formula

C21H28F4O4

SMILES

CCCCCCCCCOC(=O)CCC(=O)OCc1c(F)cccc1C(F)(F)F

Molecular Weight¹

420.44

• 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	1.0039		Relay (1.0) Calculated Property
ΔfG°	-1025.15	kJ/mol	Joback Calculated Property
ΔfH°gas	-1661.41	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	53.89	kJ/mol	Joback Calculated Property
ΔvapH°	101.33	kJ/mol	Relay (1.0) Calculated Property
IE	9.08	eV	Relay (1.0) Calculated Property
log10WS	-6.46		Relay (1.0) Calculated Property
logPoct/wat	5.962		Crippen Calculated Property
McVol	304.950	ml/mol	McGowan Calculated Property
Pc	1109.63	kPa	Joback Calculated Property
Inp	[2412.00; 2412.00]
Inp	2412.00		NIST
Inp	2412.00		NIST
Tboil	637.41	K	Relay (1.0) Calculated Property
Tc	808.01	K	Relay (1.0) Calculated Property
Tfus	315.51	K	Relay (1.0) Calculated Property
Vc	1.138	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[966.41; 1041.53]	J/mol×K	[862.95; 1057.84]
Cp,gas	966.41	J/mol×K	862.95	Joback Calculated Property
Cp,gas	981.49	J/mol×K	895.43	Joback Calculated Property
Cp,gas	995.49	J/mol×K	927.91	Joback Calculated Property
Cp,gas	1008.46	J/mol×K	960.40	Joback Calculated Property
Cp,gas	1020.43	J/mol×K	992.88	Joback Calculated Property
Cp,gas	1031.44	J/mol×K	1025.36	Joback Calculated Property
Cp,gas	1041.53	J/mol×K	1057.84	Joback Calculated Property

Similar Compounds

Find more compounds similar to Succinic acid, 2-fluoro-6-(trifluoromethyl)benzyl nonyl ester.

Sources

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

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