Chemical Properties of Succinic acid, 2-chloro-6-fluorophenyl phenethyl ester

InChI

InChI=1S/C18H16ClFO4/c19-14-7-4-8-15(20)18(14)24-17(22)10-9-16(21)23-12-11-13-5-2-1-3-6-13/h1-8H,9-12H2

InChI Key

NNKHYVOTLUDOHV-UHFFFAOYSA-N

Formula

C18H16ClFO4

SMILES

O=C(CCC(=O)Oc1c(F)cccc1Cl)OCCc1ccccc1

Molecular Weight¹

350.77

• 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	0.8158		Relay (1.0) Calculated Property
ΔfG°	-368.34	kJ/mol	Joback Calculated Property
ΔfH°gas	-718.12	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	42.53	kJ/mol	Joback Calculated Property
ΔvapH°	109.22	kJ/mol	Relay (1.0) Calculated Property
IE	8.46	eV	Relay (1.0) Calculated Property
log10WS	-4.90		Relay (1.0) Calculated Property
logPoct/wat	3.951		Crippen Calculated Property
McVol	245.850	ml/mol	McGowan Calculated Property
Pc	1883.80	kPa	Joback Calculated Property
Inp	[2538.00; 2538.00]
Inp	2538.00		NIST
Inp	2538.00		NIST
Tboil	634.94	K	Relay (1.0) Calculated Property
Tc	899.27	K	Relay (1.0) Calculated Property
Tfus	324.44	K	Relay (1.0) Calculated Property
Vc	0.898	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[697.25; 752.13]	J/mol×K	[863.84; 1088.74]
Cp,gas	697.25	J/mol×K	863.84	Joback Calculated Property
Cp,gas	709.22	J/mol×K	901.32	Joback Calculated Property
Cp,gas	720.01	J/mol×K	938.81	Joback Calculated Property
Cp,gas	729.68	J/mol×K	976.29	Joback Calculated Property
Cp,gas	738.23	J/mol×K	1013.78	Joback Calculated Property
Cp,gas	745.71	J/mol×K	1051.26	Joback Calculated Property
Cp,gas	752.13	J/mol×K	1088.74	Joback Calculated Property

Similar Compounds

Find more compounds similar to Succinic acid, 2-chloro-6-fluorophenyl phenethyl 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.