Chemical Properties of Diglycolic acid, isobutyl 2,4,6-trichlorophenyl ester

InChI

InChI=1S/C14H15Cl3O5/c1-8(2)5-21-12(18)6-20-7-13(19)22-14-10(16)3-9(15)4-11(14)17/h3-4,8H,5-7H2,1-2H3

InChI Key

NVYHZCGKBVPWNX-UHFFFAOYSA-N

Formula

C14H15Cl3O5

SMILES

CC(C)COC(=O)COCC(=O)Oc1c(Cl)cc(Cl)cc1Cl

Molecular Weight¹

369.62

• ω : Acentric Factor.
• C_p,gas : Ideal gas heat capacity (J/mol×K).
• η : Dynamic viscosity (Pa×s).
• 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	0.8452		Relay (1.0) Calculated Property
ΔfG°	-460.55	kJ/mol	Joback Calculated Property
ΔfH°gas	-897.45	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	40.72	kJ/mol	Joback Calculated Property
ΔvapH°	94.03	kJ/mol	Relay (1.0) Calculated Property
IE	8.72	eV	Relay (1.0) Calculated Property
log10WS	-4.78		Relay (1.0) Calculated Property
logPoct/wat	3.768		Crippen Calculated Property
McVol	241.830	ml/mol	McGowan Calculated Property
Pc	1883.80	kPa	Joback Calculated Property
Inp	[2812.00; 2812.00]
Inp	2812.00		NIST
Inp	2812.00		NIST
Tboil	610.80	K	Relay (1.0) Calculated Property
Tc	851.20	K	Relay (1.0) Calculated Property
Tfus	339.15	K	Relay (1.0) Calculated Property
Vc	0.874	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[635.60; 683.40]	J/mol×K	[848.19; 1067.72]
Cp,gas	635.60	J/mol×K	848.19	Joback Calculated Property
Cp,gas	646.25	J/mol×K	884.78	Joback Calculated Property
Cp,gas	655.85	J/mol×K	921.37	Joback Calculated Property
Cp,gas	664.38	J/mol×K	957.95	Joback Calculated Property
Cp,gas	671.83	J/mol×K	994.54	Joback Calculated Property
Cp,gas	678.17	J/mol×K	1031.13	Joback Calculated Property
Cp,gas	683.40	J/mol×K	1067.72	Joback Calculated Property
η	[0.0000582; 0.0003656]	Pa×s	[552.83; 848.19]
η	0.0003656	Pa×s	552.83	Joback Calculated Property
η	0.0002375	Pa×s	602.06	Joback Calculated Property
η	0.0001646	Pa×s	651.28	Joback Calculated Property
η	0.0001201	Pa×s	700.51	Joback Calculated Property
η	0.0000914	Pa×s	749.74	Joback Calculated Property
η	0.0000719	Pa×s	798.96	Joback Calculated Property
η	0.0000582	Pa×s	848.19	Joback Calculated Property

Similar Compounds

Find more compounds similar to Diglycolic acid, isobutyl 2,4,6-trichlorophenyl ester.

Sources

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

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