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

InChI

InChI=1S/C18H24ClFO5/c1-2-3-4-5-6-7-11-24-16(21)12-23-13-17(22)25-18-14(19)9-8-10-15(18)20/h8-10H,2-7,11-13H2,1H3

InChI Key

KTLXNWRRUPNYCP-UHFFFAOYSA-N

Formula

C18H24ClFO5

SMILES

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

Molecular Weight¹

374.83

• 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).
• 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
ΔfG°	-585.75	kJ/mol	Joback Calculated Property
ΔfH°gas	-1034.93	kJ/mol	Joback Calculated Property
ΔfusH°	49.68	kJ/mol	Joback Calculated Property
ΔvapH°	83.55	kJ/mol	Joback Calculated Property
log10WS	-4.94		Crippen Calculated Property
logPoct/wat	4.305		Crippen Calculated Property
McVol	275.480	ml/mol	McGowan Calculated Property
Pc	1421.85	kPa	Joback Calculated Property
Inp	[3152.00; 3152.00]
Inp	3152.00		NIST
Inp	3152.00		NIST
Tboil	859.58	K	Joback Calculated Property
Tc	1061.27	K	Joback Calculated Property
Tfus	541.14	K	Joback Calculated Property
Vc	1.069	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[822.80; 887.79]	J/mol×K	[859.58; 1061.27]
Cp,gas	822.80	J/mol×K	859.58	Joback Calculated Property
Cp,gas	836.39	J/mol×K	893.20	Joback Calculated Property
Cp,gas	848.88	J/mol×K	926.81	Joback Calculated Property
Cp,gas	860.26	J/mol×K	960.43	Joback Calculated Property
Cp,gas	870.53	J/mol×K	994.04	Joback Calculated Property
Cp,gas	879.71	J/mol×K	1027.66	Joback Calculated Property
Cp,gas	887.79	J/mol×K	1061.27	Joback Calculated Property

Similar Compounds

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

Sources

• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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