Chemical Properties of Glutaric acid, (2-chlorocyclohexyl)methyl 8-chlorooctyl ester

InChI

InChI=1S/C20H34Cl2O4/c21-14-7-3-1-2-4-8-15-25-19(23)12-9-13-20(24)26-16-17-10-5-6-11-18(17)22/h17-18H,1-16H2

InChI Key

KRGSMTNTYJUOOJ-UHFFFAOYSA-N

Formula

C20H34Cl2O4

SMILES

O=C(CCCC(=O)OCC1CCCCC1Cl)OCCCCCCCCCl

Molecular Weight¹

409.39

• 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	0.9767		Relay (1.0) Calculated Property
ΔfG°	-357.44	kJ/mol	Joback Calculated Property
ΔfH°gas	-1081.09	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	54.43	kJ/mol	Joback Calculated Property
ΔvapH°	113.12	kJ/mol	Relay (1.0) Calculated Property
IE	9.74	eV	Relay (1.0) Calculated Property
log10WS	-5.58		Relay (1.0) Calculated Property
logPoct/wat	5.620		Crippen Calculated Property
McVol	321.160	ml/mol	McGowan Calculated Property
Pc	1150.65	kPa	Joback Calculated Property
Inp	[3035.00; 3035.00]
Inp	3035.00		NIST
Inp	3035.00		NIST
Tboil	674.24	K	Relay (1.0) Calculated Property
Tc	884.30	K	Relay (1.0) Calculated Property
Tfus	315.96	K	Relay (1.0) Calculated Property
Vc	1.164	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[1029.89; 1108.79]	J/mol×K	[899.32; 1106.01]
Cp,gas	1029.89	J/mol×K	899.32	Joback Calculated Property
Cp,gas	1046.49	J/mol×K	933.77	Joback Calculated Property
Cp,gas	1061.68	J/mol×K	968.22	Joback Calculated Property
Cp,gas	1075.48	J/mol×K	1002.66	Joback Calculated Property
Cp,gas	1087.92	J/mol×K	1037.11	Joback Calculated Property
Cp,gas	1099.01	J/mol×K	1071.56	Joback Calculated Property
Cp,gas	1108.79	J/mol×K	1106.01	Joback Calculated Property
η	[0.0000520; 0.0006508]	Pa×s	[522.46; 899.32]
η	0.0006508	Pa×s	522.46	Joback Calculated Property
η	0.0003408	Pa×s	585.27	Joback Calculated Property
η	0.0002023	Pa×s	648.08	Joback Calculated Property
η	0.0001317	Pa×s	710.89	Joback Calculated Property
η	0.0000919	Pa×s	773.70	Joback Calculated Property
η	0.0000677	Pa×s	836.51	Joback Calculated Property
η	0.0000520	Pa×s	899.32	Joback Calculated Property

Similar Compounds

Find more compounds similar to Glutaric acid, (2-chlorocyclohexyl)methyl 8-chlorooctyl ester.

Sources

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

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