Chemical Properties of Succinic acid, di(2,3,6-trifluorobenzyl) ester

InChI

InChI=1S/C18H12F6O4/c19-11-1-3-13(21)17(23)9(11)7-27-15(25)5-6-16(26)28-8-10-12(20)2-4-14(22)18(10)24/h1-4H,5-8H2

InChI Key

NTWRVJVBAVABTJ-UHFFFAOYSA-N

Formula

C18H12F6O4

SMILES

O=C(CCC(=O)OCc1c(F)ccc(F)c1F)OCc1c(F)ccc(F)c1F

Molecular Weight¹

406.28

• 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°	-1368.98	kJ/mol	Joback Calculated Property
ΔfH°gas	-1676.87	kJ/mol	Joback Calculated Property
ΔfusH°	52.18	kJ/mol	Joback Calculated Property
ΔvapH°	77.60	kJ/mol	Joback Calculated Property
log10WS	-6.27		Crippen Calculated Property
logPoct/wat	4.088		Crippen Calculated Property
McVol	242.460	ml/mol	McGowan Calculated Property
Pc	1535.46	kPa	Joback Calculated Property
Inp	[2302.00; 2302.00]
Inp	2302.00		NIST
Inp	2302.00		NIST
Tboil	842.68	K	Joback Calculated Property
Tc	1040.56	K	Joback Calculated Property
Tfus	568.44	K	Joback Calculated Property
Vc	0.984	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[706.61; 757.95]	J/mol×K	[842.68; 1040.56]
Cp,gas	706.61	J/mol×K	842.68	Joback Calculated Property
Cp,gas	717.48	J/mol×K	875.66	Joback Calculated Property
Cp,gas	727.42	J/mol×K	908.64	Joback Calculated Property
Cp,gas	736.44	J/mol×K	941.62	Joback Calculated Property
Cp,gas	744.53	J/mol×K	974.60	Joback Calculated Property
Cp,gas	751.70	J/mol×K	1007.58	Joback Calculated Property
Cp,gas	757.95	J/mol×K	1040.56	Joback Calculated Property

Similar Compounds

Find more compounds similar to Succinic acid, di(2,3,6-trifluorobenzyl) ester.

Sources

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

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