Chemical Properties of Glutaric acid, 2-(adamant-1-yl)ethyl hept-2-yl ester

InChI

InChI=1S/C24H40O4/c1-3-4-5-7-18(2)28-23(26)9-6-8-22(25)27-11-10-24-15-19-12-20(16-24)14-21(13-19)17-24/h18-21H,3-17H2,1-2H3

InChI Key

CGVXIGRKJIZGIZ-UHFFFAOYSA-N

Formula

C24H40O4

SMILES

CCCCCC(C)OC(=O)CCCC(=O)OCCC12CC3CC(CC(C3)C1)C2

Molecular Weight¹

392.57

• 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°	-162.13	kJ/mol	Joback Calculated Property
ΔfH°gas	-826.43	kJ/mol	Joback Calculated Property
ΔfusH°	47.04	kJ/mol	Joback Calculated Property
ΔvapH°	85.39	kJ/mol	Joback Calculated Property
log10WS	-6.42		Crippen Calculated Property
logPoct/wat	5.818		Crippen Calculated Property
McVol	331.320	ml/mol	McGowan Calculated Property
Pc	1114.82	kPa	Joback Calculated Property
Inp	[2830.00; 2830.00]
Inp	2830.00		NIST
Inp	2830.00		NIST
Tboil	920.72	K	Joback Calculated Property
Tc	1131.78	K	Joback Calculated Property
Tfus	559.52	K	Joback Calculated Property
Vc	1.282	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[1177.06; 1312.05]	J/mol×K	[920.72; 1131.78]
Cp,gas	1177.06	J/mol×K	920.72	Joback Calculated Property
Cp,gas	1199.93	J/mol×K	955.90	Joback Calculated Property
Cp,gas	1222.41	J/mol×K	991.07	Joback Calculated Property
Cp,gas	1244.68	J/mol×K	1026.25	Joback Calculated Property
Cp,gas	1266.92	J/mol×K	1061.43	Joback Calculated Property
Cp,gas	1289.32	J/mol×K	1096.61	Joback Calculated Property
Cp,gas	1312.05	J/mol×K	1131.78	Joback Calculated Property

Similar Compounds

Find more compounds similar to Glutaric acid, 2-(adamant-1-yl)ethyl hept-2-yl ester.

Sources

• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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