Chemical Properties of Glutaric acid, 2-(cyclohexyl)ethyl 3-methylbut-2-en-1-yl ester

InChI

InChI=1S/C18H30O4/c1-15(2)11-13-21-17(19)9-6-10-18(20)22-14-12-16-7-4-3-5-8-16/h11,16H,3-10,12-14H2,1-2H3

InChI Key

VCZYIPXQPKZSJS-UHFFFAOYSA-N

Formula

C18H30O4

SMILES

CC(C)=CCOC(=O)CCCC(=O)OCCC1CCCCC1

Molecular Weight¹

310.43

• 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	0.7611		Relay (... Calculated Property
ΔfG°	-271.04	kJ/mol	Joback Calculated Property
ΔfH°gas	-912.30	kJ/mol	Relay (... Calculated Property
ΔfusH°	38.68	kJ/mol	Joback Calculated Property
ΔvapH°	91.17	kJ/mol	Relay (... Calculated Property
IE	8.60	eV	Relay (... Calculated Property
log10WS	-4.39		Relay (... Calculated Property
logPoct/wat	4.180		Crippen Calculated Property
McVol	264.200	ml/mol	McGowan Calculated Property
Pc	1488.44	kPa	Joback Calculated Property
Inp	[2197.00; 2197.00]
Inp	2197.00		NIST
Inp	2197.00		NIST
Tboil	636.51	K	Relay (... Calculated Property
Tc	812.59	K	Relay (... Calculated Property
Tfus	281.38	K	Relay (... Calculated Property
Vc	0.949	m3/kmol	Relay (... Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[820.79; 913.43]	J/mol×K	[787.41; 989.30]
Cp,gas	820.79	J/mol×K	787.41	Joback Calculated Property
Cp,gas	839.15	J/mol×K	821.06	Joback Calculated Property
Cp,gas	856.29	J/mol×K	854.71	Joback Calculated Property
Cp,gas	872.27	J/mol×K	888.36	Joback Calculated Property
Cp,gas	887.09	J/mol×K	922.00	Joback Calculated Property
Cp,gas	900.80	J/mol×K	955.65	Joback Calculated Property
Cp,gas	913.43	J/mol×K	989.30	Joback Calculated Property

Similar Compounds

Find more compounds similar to Glutaric acid, 2-(cyclohexyl)ethyl 3-methylbut-2-en-1-yl ester.

Sources

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

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