Chemical Properties of Succinic acid, 2-chloro-6-fluorobenzyl hexyl ester

InChI

InChI=1S/C17H22ClFO4/c1-2-3-4-5-11-22-16(20)9-10-17(21)23-12-13-14(18)7-6-8-15(13)19/h6-8H,2-5,9-12H2,1H3

InChI Key

JJUGVGLWXXLEAX-UHFFFAOYSA-N

Formula

C17H22ClFO4

SMILES

CCCCCCOC(=O)CCC(=O)OCc1c(F)cccc1Cl

Molecular Weight¹

344.81

• 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	0.8729		Relay (1.0) Calculated Property
ΔfG°	-489.17	kJ/mol	Joback Calculated Property
ΔfH°gas	-971.01	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	45.90	kJ/mol	Joback Calculated Property
ΔvapH°	96.16	kJ/mol	Relay (1.0) Calculated Property
IE	8.82	eV	Relay (1.0) Calculated Property
log10WS	-5.33		Relay (1.0) Calculated Property
logPoct/wat	4.426		Crippen Calculated Property
McVol	255.520	ml/mol	McGowan Calculated Property
Pc	1551.22	kPa	Joback Calculated Property
Inp	[2315.00; 2315.00]
Inp	2315.00		NIST
Inp	2315.00		NIST
Tboil	623.13	K	Relay (1.0) Calculated Property
Tc	818.61	K	Relay (1.0) Calculated Property
Tfus	308.50	K	Relay (1.0) Calculated Property
Vc	0.946	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[737.88; 805.90]	J/mol×K	[814.28; 1014.35]
Cp,gas	737.88	J/mol×K	814.28	Joback Calculated Property
Cp,gas	751.62	J/mol×K	847.62	Joback Calculated Property
Cp,gas	764.38	J/mol×K	880.97	Joback Calculated Property
Cp,gas	776.17	J/mol×K	914.31	Joback Calculated Property
Cp,gas	787.02	J/mol×K	947.66	Joback Calculated Property
Cp,gas	796.92	J/mol×K	981.00	Joback Calculated Property
Cp,gas	805.90	J/mol×K	1014.35	Joback Calculated Property

Similar Compounds

Find more compounds similar to Succinic acid, 2-chloro-6-fluorobenzyl hexyl 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.