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

InChI

InChI=1S/C21H30F2O4/c1-3-4-5-6-7-8-9-15-26-19(24)13-14-20(25)27-16(2)21-17(22)11-10-12-18(21)23/h10-12,16H,3-9,13-15H2,1-2H3

InChI Key

BONBXXCKSJNQEU-UHFFFAOYSA-N

Formula

C21H30F2O4

SMILES

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

Molecular Weight¹

384.46

• 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°	-640.81	kJ/mol	Joback Calculated Property
ΔfH°gas	-1150.28	kJ/mol	Joback Calculated Property
ΔfusH°	51.62	kJ/mol	Joback Calculated Property
ΔvapH°	82.23	kJ/mol	Joback Calculated Property
log10WS	-6.56		Crippen Calculated Property
logPoct/wat	5.643		Crippen Calculated Property
McVol	301.410	ml/mol	McGowan Calculated Property
Pc	1170.42	kPa	Joback Calculated Property
Inp	[2427.00; 2427.00]
Inp	2427.00		NIST
Inp	2427.00		NIST
Tboil	867.20	K	Joback Calculated Property
Tc	1064.90	K	Joback Calculated Property
Tfus	508.39	K	Joback Calculated Property
Vc	1.181	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[951.57; 1028.85]	J/mol×K	[867.20; 1064.90]
Cp,gas	951.57	J/mol×K	867.20	Joback Calculated Property
Cp,gas	967.26	J/mol×K	900.15	Joback Calculated Property
Cp,gas	981.79	J/mol×K	933.10	Joback Calculated Property
Cp,gas	995.20	J/mol×K	966.05	Joback Calculated Property
Cp,gas	1007.49	J/mol×K	999.00	Joback Calculated Property
Cp,gas	1018.71	J/mol×K	1031.95	Joback Calculated Property
Cp,gas	1028.85	J/mol×K	1064.90	Joback Calculated Property

Similar Compounds

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

Sources

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

Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more. Take the time to validate and double check the source of the data.