Chemical Properties of Succinic acid, 2-methylphenyl pentafluorobenzyl ester

InChI

InChI=1S/C18H13F5O4/c1-9-4-2-3-5-11(9)27-13(25)7-6-12(24)26-8-10-14(19)16(21)18(23)17(22)15(10)20/h2-5H,6-8H2,1H3

InChI Key

JSHPWMWQVGZDRX-UHFFFAOYSA-N

Formula

C18H13F5O4

SMILES

Cc1ccccc1OC(=O)CCC(=O)OCc1c(F)c(F)c(F)c(F)c1F

Molecular Weight¹

388.29

• 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°	-1174.17	kJ/mol	Joback Calculated Property
ΔfH°gas	-1480.76	kJ/mol	Joback Calculated Property
ΔfusH°	49.10	kJ/mol	Joback Calculated Property
ΔvapH°	78.41	kJ/mol	Joback Calculated Property
log10WS	-6.15		Crippen Calculated Property
logPoct/wat	4.120		Crippen Calculated Property
McVol	240.690	ml/mol	McGowan Calculated Property
Pc	1591.08	kPa	Joback Calculated Property
Inp	[2231.00; 2231.00]
Inp	2231.00		NIST
Inp	2231.00		NIST
Tboil	843.41	K	Joback Calculated Property
Tc	1045.21	K	Joback Calculated Property
Tfus	567.85	K	Joback Calculated Property
Vc	0.966	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[699.14; 751.88]	J/mol×K	[843.41; 1045.21]
Cp,gas	699.14	J/mol×K	843.41	Joback Calculated Property
Cp,gas	710.33	J/mol×K	877.04	Joback Calculated Property
Cp,gas	720.56	J/mol×K	910.68	Joback Calculated Property
Cp,gas	729.83	J/mol×K	944.31	Joback Calculated Property
Cp,gas	738.14	J/mol×K	977.95	Joback Calculated Property
Cp,gas	745.48	J/mol×K	1011.58	Joback Calculated Property
Cp,gas	751.88	J/mol×K	1045.21	Joback Calculated Property

Similar Compounds

Find more compounds similar to Succinic acid, 2-methylphenyl pentafluorobenzyl ester.

Sources

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

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