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

InChI

InChI=1S/C24H38O4/c25-22(7-4-8-23(26)28-17-18-5-2-1-3-6-18)27-10-9-24-14-19-11-20(15-24)13-21(12-19)16-24/h18-21H,1-17H2

InChI Key

CDHNNAUVDMDIQF-UHFFFAOYSA-N

Formula

C24H38O4

SMILES

O=C(CCCC(=O)OCC1CCCCC1)OCCC12CC3CC(CC(C3)C1)C2

Molecular Weight¹

390.56

• 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	0.8494		Relay (... Calculated Property
ΔfG°	-135.24	kJ/mol	Joback Calculated Property
ΔfH°gas	-1074.21	kJ/mol	Relay (... Calculated Property
ΔfusH°	42.40	kJ/mol	Joback Calculated Property
ΔvapH°	117.44	kJ/mol	Relay (... Calculated Property
IE	9.10	eV	Relay (... Calculated Property
log10WS	-5.98		Relay (... Calculated Property
logPoct/wat	5.430		Crippen Calculated Property
McVol	320.460	ml/mol	McGowan Calculated Property
Pc	1277.33	kPa	Joback Calculated Property
Inp	[3079.00; 3079.00]
Inp	3079.00		NIST
Inp	3079.00		NIST
Tboil	717.24	K	Relay (... Calculated Property
Tc	958.66	K	Relay (... Calculated Property
Tfus	422.63	K	Relay (... Calculated Property
Vc	1.201	m3/kmol	Relay (... Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[1175.02; 1315.73]	J/mol×K	[940.71; 1164.97]
Cp,gas	1175.02	J/mol×K	940.71	Joback Calculated Property
Cp,gas	1198.85	J/mol×K	978.09	Joback Calculated Property
Cp,gas	1222.24	J/mol×K	1015.46	Joback Calculated Property
Cp,gas	1245.41	J/mol×K	1052.84	Joback Calculated Property
Cp,gas	1268.57	J/mol×K	1090.22	Joback Calculated Property
Cp,gas	1291.93	J/mol×K	1127.60	Joback Calculated Property
Cp,gas	1315.73	J/mol×K	1164.97	Joback Calculated Property

Similar Compounds

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

Sources

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

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