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

InChI

InChI=1S/C22H34O4/c1-16(2)6-8-25-20(23)4-3-5-21(24)26-9-7-22-13-17-10-18(14-22)12-19(11-17)15-22/h6,17-19H,3-5,7-15H2,1-2H3

InChI Key

ITYNTKDOZHEHTG-UHFFFAOYSA-N

Formula

C22H34O4

SMILES

CC(C)=CCOC(=O)CCCC(=O)OCCC12CC3CC(CC(C3)C1)C2

Molecular Weight¹

362.50

• 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	0.7981		Relay (1.0) Calculated Property
ΔfG°	-104.86	kJ/mol	Joback Calculated Property
ΔfH°gas	-971.18	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	44.28	kJ/mol	Joback Calculated Property
ΔvapH°	109.84	kJ/mol	Relay (1.0) Calculated Property
IE	8.53	eV	Relay (1.0) Calculated Property
log10WS	-5.55		Relay (1.0) Calculated Property
logPoct/wat	4.816		Crippen Calculated Property
McVol	298.840	ml/mol	McGowan Calculated Property
Pc	1318.48	kPa	Joback Calculated Property
Inp	[2744.00; 2744.00]
Inp	2744.00		NIST
Inp	2744.00		NIST
Tboil	677.07	K	Relay (1.0) Calculated Property
Tc	906.14	K	Relay (1.0) Calculated Property
Tfus	415.25	K	Relay (1.0) Calculated Property
Vc	1.090	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[1022.00; 1148.21]	J/mol×K	[879.44; 1091.67]
Cp,gas	1022.00	J/mol×K	879.44	Joback Calculated Property
Cp,gas	1043.30	J/mol×K	914.81	Joback Calculated Property
Cp,gas	1064.24	J/mol×K	950.18	Joback Calculated Property
Cp,gas	1085.02	J/mol×K	985.55	Joback Calculated Property
Cp,gas	1105.81	J/mol×K	1020.93	Joback Calculated Property
Cp,gas	1126.81	J/mol×K	1056.30	Joback Calculated Property
Cp,gas	1148.21	J/mol×K	1091.67	Joback Calculated Property

Similar Compounds

Find more compounds similar to Glutaric acid, 2-(adamant-1-yl)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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