Chemical Properties of Succinic acid, 3,4-dimethylphenyl pentafluorobenzyl ester

InChI

InChI=1S/C19H15F5O4/c1-9-3-4-11(7-10(9)2)28-14(26)6-5-13(25)27-8-12-15(20)17(22)19(24)18(23)16(12)21/h3-4,7H,5-6,8H2,1-2H3

InChI Key

VHOWFFNATFOUHQ-UHFFFAOYSA-N

Formula

C19H15F5O4

SMILES

Cc1ccc(OC(=O)CCC(=O)OCc2c(F)c(F)c(F)c(F)c2F)cc1C

Molecular Weight¹

402.31

• 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	0.9032		Relay (1.0) Calculated Property
ΔfG°	-1175.38	kJ/mol	Joback Calculated Property
ΔfH°gas	-1391.61	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	51.30	kJ/mol	Joback Calculated Property
ΔvapH°	101.92	kJ/mol	Relay (1.0) Calculated Property
IE	8.39	eV	Relay (1.0) Calculated Property
log10WS	-6.90		Relay (1.0) Calculated Property
logPoct/wat	4.428		Crippen Calculated Property
McVol	254.780	ml/mol	McGowan Calculated Property
Pc	1459.02	kPa	Joback Calculated Property
Inp	[2394.00; 2394.00]
Inp	2394.00		NIST
Inp	2394.00		NIST
Tboil	634.39	K	Relay (1.0) Calculated Property
Tc	857.23	K	Relay (1.0) Calculated Property
Tfus	355.49	K	Relay (1.0) Calculated Property
Vc	0.944	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[753.81; 806.76]	J/mol×K	[871.27; 1074.93]
Cp,gas	753.81	J/mol×K	871.27	Joback Calculated Property
Cp,gas	765.22	J/mol×K	905.21	Joback Calculated Property
Cp,gas	775.60	J/mol×K	939.16	Joback Calculated Property
Cp,gas	784.94	J/mol×K	973.10	Joback Calculated Property
Cp,gas	793.25	J/mol×K	1007.05	Joback Calculated Property
Cp,gas	800.52	J/mol×K	1040.99	Joback Calculated Property
Cp,gas	806.76	J/mol×K	1074.93	Joback Calculated Property

Similar Compounds

Find more compounds similar to Succinic acid, 3,4-dimethylphenyl pentafluorobenzyl ester.

Sources

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

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