Chemical Properties of Diglycolic acid, 2-chloro-6-fluorophenyl heptyl ester

InChI

InChI=1S/C17H22ClFO5/c1-2-3-4-5-6-10-23-15(20)11-22-12-16(21)24-17-13(18)8-7-9-14(17)19/h7-9H,2-6,10-12H2,1H3

InChI Key

BTKGWTKIYQYAQP-UHFFFAOYSA-N

Formula

C17H22ClFO5

SMILES

CCCCCCCOC(=O)COCC(=O)Oc1c(F)cccc1Cl

Molecular Weight¹

360.81

• 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	0.9516		Relay (1.0) Calculated Property
ΔfG°	-594.17	kJ/mol	Joback Calculated Property
ΔfH°gas	-1076.94	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	47.09	kJ/mol	Joback Calculated Property
ΔvapH°	97.76	kJ/mol	Relay (1.0) Calculated Property
IE	8.63	eV	Relay (1.0) Calculated Property
log10WS	-4.88		Relay (1.0) Calculated Property
logPoct/wat	3.915		Crippen Calculated Property
McVol	261.390	ml/mol	McGowan Calculated Property
Pc	1530.66	kPa	Joback Calculated Property
Inp	[3025.00; 3025.00]
Inp	3025.00		NIST
Inp	3025.00		NIST
Tboil	617.62	K	Relay (1.0) Calculated Property
Tc	834.25	K	Relay (1.0) Calculated Property
Tfus	310.92	K	Relay (1.0) Calculated Property
Vc	0.968	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[765.45; 829.80]	J/mol×K	[836.70; 1037.49]
Cp,gas	765.45	J/mol×K	836.70	Joback Calculated Property
Cp,gas	778.80	J/mol×K	870.17	Joback Calculated Property
Cp,gas	791.09	J/mol×K	903.63	Joback Calculated Property
Cp,gas	802.34	J/mol×K	937.10	Joback Calculated Property
Cp,gas	812.54	J/mol×K	970.56	Joback Calculated Property
Cp,gas	821.69	J/mol×K	1004.03	Joback Calculated Property
Cp,gas	829.80	J/mol×K	1037.49	Joback Calculated Property

Similar Compounds

Find more compounds similar to Diglycolic acid, 2-chloro-6-fluorophenyl heptyl ester.

Sources

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

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