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

InChI

InChI=1S/C23H38O4/c1-4-20(16(2)3)27-22(25)7-5-6-21(24)26-9-8-23-13-17-10-18(14-23)12-19(11-17)15-23/h16-20H,4-15H2,1-3H3

InChI Key

FLXQYXVJFKUCED-UHFFFAOYSA-N

Formula

C23H38O4

SMILES

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

Molecular Weight¹

378.55

• 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°	-172.99	kJ/mol	Joback Calculated Property
ΔfH°gas	-811.07	kJ/mol	Joback Calculated Property
ΔfusH°	40.93	kJ/mol	Joback Calculated Property
ΔvapH°	82.78	kJ/mol	Joback Calculated Property
log10WS	-5.76		Crippen Calculated Property
logPoct/wat	5.284		Crippen Calculated Property
McVol	317.230	ml/mol	McGowan Calculated Property
Pc	1196.48	kPa	Joback Calculated Property
Inp	[2684.00; 2684.00]
Inp	2684.00		NIST
Inp	2684.00		NIST
Tboil	897.40	K	Joback Calculated Property
Tc	1108.15	K	Joback Calculated Property
Tfus	533.25	K	Joback Calculated Property
Vc	1.220	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[1113.17; 1243.24]	J/mol×K	[897.40; 1108.15]
Cp,gas	1113.17	J/mol×K	897.40	Joback Calculated Property
Cp,gas	1135.42	J/mol×K	932.53	Joback Calculated Property
Cp,gas	1157.21	J/mol×K	967.65	Joback Calculated Property
Cp,gas	1178.71	J/mol×K	1002.78	Joback Calculated Property
Cp,gas	1200.10	J/mol×K	1037.90	Joback Calculated Property
Cp,gas	1221.55	J/mol×K	1073.03	Joback Calculated Property
Cp,gas	1243.24	J/mol×K	1108.15	Joback Calculated Property

Similar Compounds

Find more compounds similar to Glutaric acid, 2-(adamant-1-yl)ethyl 2-methylpent-3-yl ester.

Sources

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

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