Chemical Properties of Succinic acid, decyl 3,4-difluorobenzyl ester

InChI

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

InChI Key

WFCKIBMEZYGTSK-UHFFFAOYSA-N

Formula

C21H30F2O4

SMILES

CCCCCCCCCCOC(=O)CCC(=O)OCc1ccc(F)c(F)c1

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°	-638.37	kJ/mol	Joback Calculated Property
ΔfH°gas	-1145.00	kJ/mol	Joback Calculated Property
ΔfusH°	55.14	kJ/mol	Joback Calculated Property
ΔvapH°	82.62	kJ/mol	Joback Calculated Property
log10WS	-6.60		Crippen Calculated Property
logPoct/wat	5.472		Crippen Calculated Property
McVol	301.410	ml/mol	McGowan Calculated Property
Pc	1164.04	kPa	Joback Calculated Property
Inp	[2525.00; 2525.00]
Inp	2525.00		NIST
Inp	2525.00		NIST
Tboil	867.64	K	Joback Calculated Property
Tc	1064.57	K	Joback Calculated Property
Tfus	523.39	K	Joback Calculated Property
Vc	1.188	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[951.07; 1028.36]	J/mol×K	[867.64; 1064.57]
Cp,gas	951.07	J/mol×K	867.64	Joback Calculated Property
Cp,gas	966.71	J/mol×K	900.46	Joback Calculated Property
Cp,gas	981.22	J/mol×K	933.28	Joback Calculated Property
Cp,gas	994.62	J/mol×K	966.10	Joback Calculated Property
Cp,gas	1006.93	J/mol×K	998.92	Joback Calculated Property
Cp,gas	1018.17	J/mol×K	1031.75	Joback Calculated Property
Cp,gas	1028.36	J/mol×K	1064.57	Joback Calculated Property

Similar Compounds

Find more compounds similar to Succinic acid, decyl 3,4-difluorobenzyl ester.

Sources

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

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