Chemical Properties of Glutaric acid, but-3-yn-2-yl trans-4-tert-butylcyclohexyl ester

InChI

InChI=1S/C19H30O4/c1-6-14(2)22-17(20)8-7-9-18(21)23-16-12-10-15(11-13-16)19(3,4)5/h1,14-16H,7-13H2,2-5H3

InChI Key

WIVCEQKUHPDBPG-UHFFFAOYSA-N

Formula

C19H30O4

SMILES

C#CC(C)OC(=O)CCCC(=O)OC1CCC(C(C)(C)C)CC1

Molecular Weight¹

322.44

• 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°	-118.53	kJ/mol	Joback Calculated Property
ΔfH°gas	-613.24	kJ/mol	Joback Calculated Property
ΔfusH°	35.48	kJ/mol	Joback Calculated Property
ΔvapH°	74.49	kJ/mol	Joback Calculated Property
log10WS	-4.93		Crippen Calculated Property
logPoct/wat	3.870		Crippen Calculated Property
McVol	273.990	ml/mol	McGowan Calculated Property
Pc	1475.88	kPa	Joback Calculated Property
Inp	[2176.00; 2176.00]
Inp	2176.00		NIST
Inp	2176.00		NIST
Tboil	788.03	K	Joback Calculated Property
Tc	999.13	K	Joback Calculated Property
Tfus	485.74	K	Joback Calculated Property
Vc	1.024	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[855.62; 950.36]	J/mol×K	[788.03; 999.13]
Cp,gas	855.62	J/mol×K	788.03	Joback Calculated Property
Cp,gas	874.71	J/mol×K	823.21	Joback Calculated Property
Cp,gas	892.42	J/mol×K	858.40	Joback Calculated Property
Cp,gas	908.80	J/mol×K	893.58	Joback Calculated Property
Cp,gas	923.89	J/mol×K	928.76	Joback Calculated Property
Cp,gas	937.73	J/mol×K	963.95	Joback Calculated Property
Cp,gas	950.36	J/mol×K	999.13	Joback Calculated Property

Similar Compounds

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

Sources

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

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