Chemical Properties of Succinic acid, propyl 2,3,4,5-tetrafluorobenzyl ester

InChI

InChI=1S/C14H14F4O4/c1-2-5-21-10(19)3-4-11(20)22-7-8-6-9(15)13(17)14(18)12(8)16/h6H,2-5,7H2,1H3

InChI Key

DHEZVXWWJHGSRR-UHFFFAOYSA-N

Formula

C14H14F4O4

SMILES

CCCOC(=O)CCC(=O)OCc1cc(F)c(F)c(F)c1F

Molecular Weight¹

322.25

• 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	0.7909		Relay (1.0) Calculated Property
ΔfG°	-1106.19	kJ/mol	Joback Calculated Property
ΔfH°gas	-1384.23	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	42.39	kJ/mol	Joback Calculated Property
ΔvapH°	80.15	kJ/mol	Relay (1.0) Calculated Property
IE	9.21	eV	Relay (1.0) Calculated Property
log10WS	-4.79		Relay (1.0) Calculated Property
logPoct/wat	3.020		Crippen Calculated Property
McVol	206.320	ml/mol	McGowan Calculated Property
Pc	1766.90	kPa	Joback Calculated Property
Inp	[1756.00; 1756.00]
Inp	1756.00		NIST
Inp	1756.00		NIST
Tboil	554.31	K	Relay (1.0) Calculated Property
Tc	728.15	K	Relay (1.0) Calculated Property
Tfus	281.88	K	Relay (1.0) Calculated Property
Vc	0.779	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[568.63; 630.40]	J/mol×K	[715.98; 898.17]
Cp,gas	568.63	J/mol×K	715.98	Joback Calculated Property
Cp,gas	580.60	J/mol×K	746.35	Joback Calculated Property
Cp,gas	591.91	J/mol×K	776.71	Joback Calculated Property
Cp,gas	602.55	J/mol×K	807.08	Joback Calculated Property
Cp,gas	612.51	J/mol×K	837.44	Joback Calculated Property
Cp,gas	621.80	J/mol×K	867.81	Joback Calculated Property
Cp,gas	630.40	J/mol×K	898.17	Joback Calculated Property

Similar Compounds

Find more compounds similar to Succinic acid, propyl 2,3,4,5-tetrafluorobenzyl ester.

Sources

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

Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more. Take the time to validate and double check the source of the data.