Chemical Properties of Glutaric acid, (2-chlorocyclohexyl)methyl 3-methylbut-2-en-1-yl ester

InChI

InChI=1S/C17H27ClO4/c1-13(2)10-11-21-16(19)8-5-9-17(20)22-12-14-6-3-4-7-15(14)18/h10,14-15H,3-9,11-12H2,1-2H3

InChI Key

UYHGTFWESCNMHI-UHFFFAOYSA-N

Formula

C17H27ClO4

SMILES

CC(C)=CCOC(=O)CCCC(=O)OCC1CCCCC1Cl

Molecular Weight¹

330.85

• 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°	-299.10	kJ/mol	Joback Calculated Property
ΔfH°gas	-758.14	kJ/mol	Joback Calculated Property
ΔfusH°	41.35	kJ/mol	Joback Calculated Property
ΔvapH°	76.29	kJ/mol	Joback Calculated Property
log10WS	-4.44		Crippen Calculated Property
logPoct/wat	4.007		Crippen Calculated Property
McVol	262.350	ml/mol	McGowan Calculated Property
Pc	1518.75	kPa	Joback Calculated Property
Inp	[2371.00; 2371.00]
Inp	2371.00		NIST
Inp	2371.00		NIST
Tboil	797.29	K	Joback Calculated Property
Tc	1004.02	K	Joback Calculated Property
Tfus	439.69	K	Joback Calculated Property
Vc	0.998	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[795.67; 881.85]	J/mol×K	[797.29; 1004.02]
Cp,gas	795.67	J/mol×K	797.29	Joback Calculated Property
Cp,gas	813.01	J/mol×K	831.75	Joback Calculated Property
Cp,gas	829.13	J/mol×K	866.20	Joback Calculated Property
Cp,gas	844.05	J/mol×K	900.66	Joback Calculated Property
Cp,gas	857.79	J/mol×K	935.11	Joback Calculated Property
Cp,gas	870.38	J/mol×K	969.57	Joback Calculated Property
Cp,gas	881.85	J/mol×K	1004.02	Joback Calculated Property

Similar Compounds

Find more compounds similar to Glutaric acid, (2-chlorocyclohexyl)methyl 3-methylbut-2-en-1-yl ester.

Sources

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

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