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

• 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	0.9170		Relay (1.0) Calculated Property
ΔfG°	-162.13	kJ/mol	Joback Calculated Property
ΔfH°gas	-1103.36	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	47.04	kJ/mol	Joback Calculated Property
ΔvapH°	114.44	kJ/mol	Relay (1.0) Calculated Property
IE	9.19	eV	Relay (1.0) Calculated Property
log10WS	-5.85		Relay (1.0) 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	681.11	K	Relay (1.0) Calculated Property
Tc	909.81	K	Relay (1.0) Calculated Property
Tfus	391.19	K	Relay (1.0) Calculated Property
Vc	1.238	m3/kmol	Relay (1.0) 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

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

Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more. Take the time to validate and double check the source of the data.