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

InChI

InChI=1S/C18H30O4/c1-13(2)15(4)22-18(20)11-7-10-17(19)21-12-16-9-6-5-8-14(16)3/h13,15H,5-12H2,1-4H3

InChI Key

CAKDGMSLMYFZON-UHFFFAOYSA-N

Formula

C18H30O4

SMILES

CC1=C(COC(=O)CCCC(=O)OC(C)C(C)C)CCCC1

Molecular Weight¹

310.43

• ω : Acentric Factor.
• C_p,gas : Ideal gas heat capacity (J/mol×K).
• η : Dynamic viscosity (Pa×s).
• 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	0.7336		Relay (1.0) Calculated Property
ΔfG°	-329.18	kJ/mol	Joback Calculated Property
ΔfH°gas	-899.70	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	32.11	kJ/mol	Joback Calculated Property
ΔvapH°	85.95	kJ/mol	Relay (1.0) Calculated Property
IE	8.56	eV	Relay (1.0) Calculated Property
log10WS	-3.44		Relay (1.0) Calculated Property
logPoct/wat	4.178		Crippen Calculated Property
McVol	264.200	ml/mol	McGowan Calculated Property
Pc	1486.14	kPa	Joback Calculated Property
Inp	[2095.00; 2095.00]
Inp	2095.00		NIST
Inp	2095.00		NIST
Tboil	610.75	K	Relay (1.0) Calculated Property
Tc	794.20	K	Relay (1.0) Calculated Property
Tfus	296.28	K	Relay (1.0) Calculated Property
Vc	0.957	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[816.39; 904.67]	J/mol×K	[796.28; 998.66]
Cp,gas	816.39	J/mol×K	796.28	Joback Calculated Property
Cp,gas	834.05	J/mol×K	830.01	Joback Calculated Property
Cp,gas	850.50	J/mol×K	863.74	Joback Calculated Property
Cp,gas	865.78	J/mol×K	897.47	Joback Calculated Property
Cp,gas	879.89	J/mol×K	931.20	Joback Calculated Property
Cp,gas	892.85	J/mol×K	964.93	Joback Calculated Property
Cp,gas	904.67	J/mol×K	998.66	Joback Calculated Property
η	[0.0000530; 0.0010379]	Pa×s	[444.36; 796.28]
η	0.0010379	Pa×s	444.36	Joback Calculated Property
η	0.0004734	Pa×s	503.01	Joback Calculated Property
η	0.0002544	Pa×s	561.67	Joback Calculated Property
η	0.0001538	Pa×s	620.32	Joback Calculated Property
η	0.0001014	Pa×s	678.97	Joback Calculated Property
η	0.0000714	Pa×s	737.63	Joback Calculated Property
η	0.0000530	Pa×s	796.28	Joback Calculated Property

Similar Compounds

Find more compounds similar to Glutaric acid, (2-methylcyclohex-1-enyl)methyl 3-methylbut-2-yl ester.

Sources

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

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