Chemical Properties of Glutaric acid, 2-chloro-6-fluorophenyl 3,7-dimethyloctyl ester

InChI

InChI=1S/C21H30ClFO4/c1-15(2)7-4-8-16(3)13-14-26-19(24)11-6-12-20(25)27-21-17(22)9-5-10-18(21)23/h5,9-10,15-16H,4,6-8,11-14H2,1-3H3

InChI Key

OZDKFIGZJQDXBW-UHFFFAOYSA-N

Formula

C21H30ClFO4

SMILES

CC(C)CCCC(C)CCOC(=O)CCCC(=O)Oc1c(F)cccc1Cl

Molecular Weight¹

400.91

• 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°	-460.37	kJ/mol	Joback Calculated Property
ΔfH°gas	-975.19	kJ/mol	Joback Calculated Property
ΔfusH°	49.21	kJ/mol	Joback Calculated Property
ΔvapH°	87.04	kJ/mol	Joback Calculated Property
log10WS	-6.62		Crippen Calculated Property
logPoct/wat	5.950		Crippen Calculated Property
McVol	311.880	ml/mol	McGowan Calculated Property
Pc	1183.34	kPa	Joback Calculated Property
Inp	[2600.00; 2600.00]
Inp	2600.00		NIST
Inp	2600.00		NIST
Tboil	904.92	K	Joback Calculated Property
Tc	1112.38	K	Joback Calculated Property
Tfus	522.72	K	Joback Calculated Property
Vc	1.206	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[971.63; 1042.87]	J/mol×K	[904.92; 1112.38]
Cp,gas	971.63	J/mol×K	904.92	Joback Calculated Property
Cp,gas	986.51	J/mol×K	939.50	Joback Calculated Property
Cp,gas	1000.15	J/mol×K	974.07	Joback Calculated Property
Cp,gas	1012.59	J/mol×K	1008.65	Joback Calculated Property
Cp,gas	1023.83	J/mol×K	1043.23	Joback Calculated Property
Cp,gas	1033.92	J/mol×K	1077.80	Joback Calculated Property
Cp,gas	1042.87	J/mol×K	1112.38	Joback Calculated Property

Similar Compounds

Find more compounds similar to Glutaric acid, 2-chloro-6-fluorophenyl 3,7-dimethyloctyl ester.

Sources

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

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