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

• ω : Acentric Factor.
• 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).
• 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	0.7218		Relay (1.0) Calculated Property
ΔfG°	-299.10	kJ/mol	Joback Calculated Property
ΔfH°gas	-931.01	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	41.35	kJ/mol	Joback Calculated Property
ΔvapH°	94.49	kJ/mol	Relay (1.0) Calculated Property
IE	8.72	eV	Relay (1.0) Calculated Property
log10WS	-4.32		Relay (1.0) 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	644.59	K	Relay (1.0) Calculated Property
Tc	833.86	K	Relay (1.0) Calculated Property
Tfus	306.02	K	Relay (1.0) Calculated Property
Vc	0.931	m3/kmol	Relay (1.0) 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

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

Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more. Take the time to validate and double check the source of the data.