Chemical Properties of 1,2-Cyclohexanedicarboxylic acid, 2-adamantyl ethyl ester

InChI

InChI=1S/C20H30O4/c1-2-23-19(21)16-5-3-4-6-17(16)20(22)24-18-14-8-12-7-13(10-14)11-15(18)9-12/h12-18H,2-11H2,1H3

InChI Key

YQXLJJRMHPXQEF-UHFFFAOYSA-N

Formula

C20H30O4

SMILES

CCOC(=O)C1CCCCC1C(=O)OC1C2CC3CC(C2)CC1C3

Molecular Weight¹

334.45

• ω : Acentric Factor.
• C_p,gas : Ideal gas heat capacity (J/mol×K).
• η : Dynamic viscosity (Pa×s).
• 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	0.6426		Relay (... Calculated Property
ΔfG°	-178.85	kJ/mol	Joback Calculated Property
ΔfH°gas	-971.80	kJ/mol	Relay (... Calculated Property
ΔfusH°	40.48	kJ/mol	Joback Calculated Property
ΔvapH°	104.00	kJ/mol	Relay (... Calculated Property
IE	9.13	eV	Relay (... Calculated Property
log10WS	-5.18		Relay (... Calculated Property
logPoct/wat	3.724		Crippen Calculated Property
McVol	264.100	ml/mol	McGowan Calculated Property
Pc	1568.47	kPa	Joback Calculated Property
Inp	[2478.00; 2478.00]
Inp	2478.00		NIST
Inp	2478.00		NIST
Tboil	652.50	K	Relay (... Calculated Property
Tc	921.91	K	Relay (... Calculated Property
Tfus	469.85	K	Relay (... Calculated Property
Vc	0.989	m3/kmol	Relay (... Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[932.56; 1036.74]	J/mol×K	[839.61; 1063.14]
Cp,gas	932.56	J/mol×K	839.61	Joback Calculated Property
Cp,gas	953.54	J/mol×K	876.86	Joback Calculated Property
Cp,gas	972.96	J/mol×K	914.12	Joback Calculated Property
Cp,gas	990.89	J/mol×K	951.37	Joback Calculated Property
Cp,gas	1007.44	J/mol×K	988.63	Joback Calculated Property
Cp,gas	1022.69	J/mol×K	1025.88	Joback Calculated Property
Cp,gas	1036.74	J/mol×K	1063.14	Joback Calculated Property
η	[0.0023802; 0.0051580]	Pa×s	[504.44; 839.61]
η	0.0051580	Pa×s	504.44	Joback Calculated Property
η	0.0042521	Pa×s	560.30	Joback Calculated Property
η	0.0036302	Pa×s	616.16	Joback Calculated Property
η	0.0031818	Pa×s	672.02	Joback Calculated Property
η	0.0028458	Pa×s	727.89	Joback Calculated Property
η	0.0025861	Pa×s	783.75	Joback Calculated Property
η	0.0023802	Pa×s	839.61	Joback Calculated Property

Similar Compounds

Find more compounds similar to 1,2-Cyclohexanedicarboxylic acid, 2-adamantyl ethyl ester.

Sources

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

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