Chemical Properties of Glutaric acid, 3,4-dimethylcyclohexyl but-3-yn-2-yl ester

InChI

InChI=1S/C17H26O4/c1-5-14(4)20-16(18)7-6-8-17(19)21-15-10-9-12(2)13(3)11-15/h1,12-15H,6-11H2,2-4H3

InChI Key

OMPFQFIOJOKGJR-UHFFFAOYSA-N

Formula

C17H26O4

SMILES

C#CC(C)OC(=O)CCCC(=O)OC1CCC(C)C(C)C1

Molecular Weight¹

294.39

• 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	0.6382		Relay (... Calculated Property
ΔfG°	-145.92	kJ/mol	Joback Calculated Property
ΔfH°gas	-743.68	kJ/mol	Relay (... Calculated Property
ΔfusH°	38.79	kJ/mol	Joback Calculated Property
ΔvapH°	88.11	kJ/mol	Relay (... Calculated Property
IE	9.49	eV	Relay (... Calculated Property
log10WS	-3.73		Relay (... Calculated Property
logPoct/wat	3.089		Crippen Calculated Property
McVol	245.810	ml/mol	McGowan Calculated Property
Pc	1648.43	kPa	Joback Calculated Property
Inp	[1961.00; 1961.00]
Inp	1961.00		NIST
Inp	1961.00		NIST
Tboil	591.77	K	Relay (... Calculated Property
Tc	788.11	K	Relay (... Calculated Property
Tfus	315.18	K	Relay (... Calculated Property
Vc	0.866	m3/kmol	Relay (... Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[740.43; 835.44]	J/mol×K	[740.83; 947.19]
Cp,gas	740.43	J/mol×K	740.83	Joback Calculated Property
Cp,gas	759.37	J/mol×K	775.22	Joback Calculated Property
Cp,gas	777.07	J/mol×K	809.62	Joback Calculated Property
Cp,gas	793.51	J/mol×K	844.01	Joback Calculated Property
Cp,gas	808.71	J/mol×K	878.40	Joback Calculated Property
Cp,gas	822.69	J/mol×K	912.80	Joback Calculated Property
Cp,gas	835.44	J/mol×K	947.19	Joback Calculated Property

Similar Compounds

Find more compounds similar to Glutaric acid, 3,4-dimethylcyclohexyl but-3-yn-2-yl ester.

Sources

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

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