Chemical Properties of Ethyladamantane-1-carboxylate (CAS 2094-73-7)

InChI

InChI=1S/C13H20O2/c1-2-15-12(14)13-6-9-3-10(7-13)5-11(4-9)8-13/h9-11H,2-8H2,1H3

InChI Key

SYEXGNJRYPOUSI-UHFFFAOYSA-N

Formula

C13H20O2

SMILES

CCOC(=O)C12CC3CC(CC(C3)C1)C2

Molecular Weight¹

208.30

CAS

2094-73-7

Other Names

• Tricyclo[3.3.1.1(3,7)-]decane-1-carboxylic acid, ethyl ester
• ethyl tricyclo[3.3.1.13,7]decane-1-carboxylate

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• Δ_fH°_gas : Enthalpy of formation at standard conditions (kJ/mol).
• Δ_fusH° : Enthalpy of fusion at standard conditions (kJ/mol).
• IE : Ionization energy (eV).
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• I_np : Non-polar retention indices.
• I : Polar retention indices.
• T_boil : Normal Boiling Point Temperature (K).
• T_boilr : Boiling point at reduced pressure (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔfH°gas	-510.85	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	20.87	kJ/mol	Joback Calculated Property
IE	9.17	eV	Relay (1.0) Calculated Property
logPoct/wat	2.766		Crippen Calculated Property
McVol	168.890	ml/mol	McGowan Calculated Property
Inp	[1508.00; 1545.00]
Inp	1508.00		NIST
Inp	1508.00		NIST
Inp	1523.00		NIST
Inp	1532.00		NIST
Inp	1545.00		NIST
I	[1917.00; 1960.00]
I	1917.00		NIST
I	1939.00		NIST
I	1960.00		NIST
I	1917.00		NIST
Tboil	549.89	K	Relay (1.0) Calculated Property

Cheméo can also estimate Normal melting (fusion) point, Critical Temperature, Critical Pressure, Critical Volume, Enthalpy of vaporization at standard conditions, Standard Gibbs free energy of formation, Acentric Factor, Log10 of Water solubility in mol/l for this compound, but they fall outside the models' validated range, so they are not shown here. Open the prediction tool to compute them on demand.

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[468.12; 571.61]	J/mol×K	[575.32; 791.97]
Cp,gas	468.12	J/mol×K	575.32	Joback Calculated Property
Cp,gas	488.27	J/mol×K	611.43	Joback Calculated Property
Cp,gas	507.02	J/mol×K	647.54	Joback Calculated Property
Cp,gas	524.56	J/mol×K	683.64	Joback Calculated Property
Cp,gas	541.05	J/mol×K	719.75	Joback Calculated Property
Cp,gas	556.68	J/mol×K	755.86	Joback Calculated Property
Cp,gas	571.61	J/mol×K	791.97	Joback Calculated Property

Pressure Dependent Properties

Similar Compounds

Find more compounds similar to Ethyladamantane-1-carboxylate.

Sources

• Cheméo Relay (1.0)
• Cheméo Relay (1.0, beta) Beta: served but experimental, data-limited and below our cross-validation release bar; the Joback value is recommended where available.
• 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.
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