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

• 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°	-112.09	kJ/mol	Joback Calculated Property
ΔfH°gas	-487.69	kJ/mol	Joback Calculated Property
ΔfusH°	36.02	kJ/mol	Joback Calculated Property
ΔvapH°	73.57	kJ/mol	Joback Calculated Property
log10WS	-4.32		Crippen 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	763.96	K	Joback Calculated Property
Tc	973.67	K	Joback Calculated Property
Tfus	495.06	K	Joback Calculated Property
Vc	0.911	m3/kmol	Joback 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

• 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.