Chemical Properties of Glutaric acid, (2-methylcyclohex-1-enyl)methyl but-3-yn-2-yl ester

InChI

InChI=1S/C17H24O4/c1-4-14(3)21-17(19)11-7-10-16(18)20-12-15-9-6-5-8-13(15)2/h1,14H,5-12H2,2-3H3

InChI Key

XPIZRAMMSOBATK-UHFFFAOYSA-N

Formula

C17H24O4

SMILES

C#CC(C)OC(=O)CCCC(=O)OCC1=C(C)CCCC1

Molecular Weight¹

292.37

• 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	0.6361		Relay (1.0) Calculated Property
ΔfG°	-112.09	kJ/mol	Joback Calculated Property
ΔfH°gas	-620.97	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	36.02	kJ/mol	Joback Calculated Property
ΔvapH°	87.89	kJ/mol	Relay (1.0) Calculated Property
IE	8.81	eV	Relay (1.0) Calculated Property
log10WS	-3.18		Relay (1.0) Calculated Property
logPoct/wat	3.155		Crippen Calculated Property
McVol	241.510	ml/mol	McGowan Calculated Property
Pc	1798.51	kPa	Joback Calculated Property
Inp	[2005.00; 2005.00]
Inp	2005.00		NIST
Inp	2005.00		NIST
Tboil	605.62	K	Relay (1.0) Calculated Property
Tc	791.60	K	Relay (1.0) Calculated Property
Tfus	334.07	K	Relay (1.0) Calculated Property
Vc	0.845	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[704.96; 787.59]	J/mol×K	[763.96; 973.67]
Cp,gas	704.96	J/mol×K	763.96	Joback Calculated Property
Cp,gas	721.45	J/mol×K	798.91	Joback Calculated Property
Cp,gas	736.82	J/mol×K	833.86	Joback Calculated Property
Cp,gas	751.10	J/mol×K	868.81	Joback Calculated Property
Cp,gas	764.31	J/mol×K	903.76	Joback Calculated Property
Cp,gas	776.47	J/mol×K	938.72	Joback Calculated Property
Cp,gas	787.59	J/mol×K	973.67	Joback Calculated Property

Similar Compounds

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