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

InChI

InChI=1S/C23H34F2O4/c1-2-3-4-5-6-7-8-9-10-11-16-28-22(26)14-15-23(27)29-18-19-12-13-20(24)21(25)17-19/h12-13,17H,2-11,14-16,18H2,1H3

InChI Key

WDZLGLQEWRNDLH-UHFFFAOYSA-N

Formula

C23H34F2O4

SMILES

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

Molecular Weight¹

412.51

• 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	1.1016		Relay (... Calculated Property
ΔfG°	-621.53	kJ/mol	Joback Calculated Property
ΔfH°gas	-1238.58	kJ/mol	Relay (... Calculated Property
ΔfusH°	60.32	kJ/mol	Joback Calculated Property
ΔvapH°	114.97	kJ/mol	Relay (... Calculated Property
IE	8.97	eV	Relay (... Calculated Property
log10WS	-6.91		Relay (... Calculated Property
logPoct/wat	6.252		Crippen Calculated Property
McVol	329.590	ml/mol	McGowan Calculated Property
Pc	1025.31	kPa	Joback Calculated Property
Inp	[2728.00; 2728.00]
Inp	2728.00		NIST
Inp	2728.00		NIST
Tboil	648.59	K	Relay (... Calculated Property
Tc	835.85	K	Relay (... Calculated Property
Tfus	297.16	K	Relay (... Calculated Property
Vc	1.245	m3/kmol	Relay (... Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[1071.65; 1150.73]	J/mol×K	[913.40; 1118.29]
Cp,gas	1071.65	J/mol×K	913.40	Joback Calculated Property
Cp,gas	1087.95	J/mol×K	947.55	Joback Calculated Property
Cp,gas	1102.97	J/mol×K	981.70	Joback Calculated Property
Cp,gas	1116.72	J/mol×K	1015.84	Joback Calculated Property
Cp,gas	1129.25	J/mol×K	1049.99	Joback Calculated Property
Cp,gas	1140.57	J/mol×K	1084.14	Joback Calculated Property
Cp,gas	1150.73	J/mol×K	1118.29	Joback Calculated Property

Similar Compounds

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

Sources

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

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