Chemical Properties of Glutaric acid, (2-methylcyclohex-1-enyl)methyl 8-chlorooctyl ester

InChI

InChI=1S/C21H35ClO4/c1-18-11-6-7-12-19(18)17-26-21(24)14-10-13-20(23)25-16-9-5-3-2-4-8-15-22/h2-17H2,1H3

InChI Key

QNCQLMUCTCGRIC-UHFFFAOYSA-N

Formula

C21H35ClO4

SMILES

CC1=C(COC(=O)CCCC(=O)OCCCCCCCCCl)CCCC1

Molecular Weight¹

386.95

• 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).
• 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°	-310.97	kJ/mol	Joback Calculated Property
ΔfH°gas	-872.61	kJ/mol	Joback Calculated Property
ΔfusH°	51.12	kJ/mol	Joback Calculated Property
ΔvapH°	87.39	kJ/mol	Joback Calculated Property
log10WS	-6.24		Crippen Calculated Property
logPoct/wat	5.713		Crippen Calculated Property
McVol	318.710	ml/mol	McGowan Calculated Property
Pc	1160.87	kPa	Joback Calculated Property
Inp	[2847.00; 2847.00]
Inp	2847.00		NIST
Inp	2847.00		NIST
Tboil	903.23	K	Joback Calculated Property
Tc	1109.61	K	Joback Calculated Property
Tfus	538.09	K	Joback Calculated Property
Vc	1.228	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[1023.76; 1104.14]	J/mol×K	[903.23; 1109.61]
Cp,gas	1023.76	J/mol×K	903.23	Joback Calculated Property
Cp,gas	1040.34	J/mol×K	937.63	Joback Calculated Property
Cp,gas	1055.61	J/mol×K	972.02	Joback Calculated Property
Cp,gas	1069.60	J/mol×K	1006.42	Joback Calculated Property
Cp,gas	1082.33	J/mol×K	1040.82	Joback Calculated Property
Cp,gas	1093.83	J/mol×K	1075.21	Joback Calculated Property
Cp,gas	1104.14	J/mol×K	1109.61	Joback Calculated Property
η	[0.0000345; 0.0004338]	Pa×s	[538.09; 903.23]
η	0.0004338	Pa×s	538.09	Joback Calculated Property
η	0.0002296	Pa×s	598.95	Joback Calculated Property
η	0.0001367	Pa×s	659.80	Joback Calculated Property
η	0.0000888	Pa×s	720.66	Joback Calculated Property
η	0.0000617	Pa×s	781.52	Joback Calculated Property
η	0.0000452	Pa×s	842.37	Joback Calculated Property
η	0.0000345	Pa×s	903.23	Joback Calculated Property

Similar Compounds

Find more compounds similar to Glutaric acid, (2-methylcyclohex-1-enyl)methyl 8-chlorooctyl ester.

Sources

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

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