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

InChI

InChI=1S/C22H32F2O4/c1-3-4-5-6-7-8-9-10-16-27-20(25)14-15-21(26)28-17(2)22-18(23)12-11-13-19(22)24/h11-13,17H,3-10,14-16H2,1-2H3

InChI Key

DUVLZUJFOYLDAC-UHFFFAOYSA-N

Formula

C22H32F2O4

SMILES

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

Molecular Weight¹

398.48

• 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	1.0086		Relay (1.0) Calculated Property
ΔfG°	-632.39	kJ/mol	Joback Calculated Property
ΔfH°gas	-1245.11	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	54.21	kJ/mol	Joback Calculated Property
ΔvapH°	108.72	kJ/mol	Relay (1.0) Calculated Property
IE	9.00	eV	Relay (1.0) Calculated Property
log10WS	-6.25		Relay (1.0) Calculated Property
logPoct/wat	6.033		Crippen Calculated Property
McVol	315.500	ml/mol	McGowan Calculated Property
Pc	1097.17	kPa	Joback Calculated Property
Inp	[2527.00; 2527.00]
Inp	2527.00		NIST
Inp	2527.00		NIST
Tboil	628.44	K	Relay (1.0) Calculated Property
Tc	824.70	K	Relay (1.0) Calculated Property
Tfus	314.84	K	Relay (1.0) Calculated Property
Vc	1.180	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[1011.53; 1089.58]	J/mol×K	[890.08; 1090.97]
Cp,gas	1011.53	J/mol×K	890.08	Joback Calculated Property
Cp,gas	1027.50	J/mol×K	923.56	Joback Calculated Property
Cp,gas	1042.26	J/mol×K	957.04	Joback Calculated Property
Cp,gas	1055.82	J/mol×K	990.52	Joback Calculated Property
Cp,gas	1068.21	J/mol×K	1024.00	Joback Calculated Property
Cp,gas	1079.45	J/mol×K	1057.49	Joback Calculated Property
Cp,gas	1089.58	J/mol×K	1090.97	Joback Calculated Property

Similar Compounds

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

Sources

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

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