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

InChI

InChI=1S/C25H42O4/c1-3-5-7-19(4-2)18-29-24(27)9-6-8-23(26)28-11-10-25-15-20-12-21(16-25)14-22(13-20)17-25/h19-22H,3-18H2,1-2H3

InChI Key

IBPPMQXLKKRRQR-UHFFFAOYSA-N

Formula

C25H42O4

SMILES

CCCCC(CC)COC(=O)CCCC(=O)OCCC12CC3CC(CC(C3)C1)C2

Molecular Weight¹

406.60

• 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°	-153.71	kJ/mol	Joback Calculated Property
ΔfH°gas	-847.07	kJ/mol	Joback Calculated Property
ΔfusH°	49.63	kJ/mol	Joback Calculated Property
ΔvapH°	87.62	kJ/mol	Joback Calculated Property
log10WS	-6.49		Crippen Calculated Property
logPoct/wat	6.066		Crippen Calculated Property
McVol	345.410	ml/mol	McGowan Calculated Property
Pc	1046.65	kPa	Joback Calculated Property
Inp	[2963.00; 2963.00]
Inp	2963.00		NIST
Inp	2963.00		NIST
Tboil	943.60	K	Joback Calculated Property
Tc	1157.33	K	Joback Calculated Property
Tfus	570.79	K	Joback Calculated Property
Vc	1.337	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[1242.28; 1383.48]	J/mol×K	[943.60; 1157.33]
Cp,gas	1242.28	J/mol×K	943.60	Joback Calculated Property
Cp,gas	1265.99	J/mol×K	979.22	Joback Calculated Property
Cp,gas	1289.38	J/mol×K	1014.84	Joback Calculated Property
Cp,gas	1312.63	J/mol×K	1050.47	Joback Calculated Property
Cp,gas	1335.94	J/mol×K	1086.09	Joback Calculated Property
Cp,gas	1359.49	J/mol×K	1121.71	Joback Calculated Property
Cp,gas	1383.48	J/mol×K	1157.33	Joback Calculated Property

Similar Compounds

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

Sources

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

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