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_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.
• I : Polar retention indices.
• T_boil : Normal Boiling Point Temperature (K).
• T_boilr : Boiling point at reduced pressure (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°	-18.39	kJ/mol	Joback Calculated Property
ΔfH°gas	-349.31	kJ/mol	Joback Calculated Property
ΔfusH°	19.29	kJ/mol	Joback Calculated Property
ΔvapH°	52.14	kJ/mol	Joback Calculated Property
log10WS	-2.84		Crippen Calculated Property
logPoct/wat	2.766		Crippen Calculated Property
McVol	168.890	ml/mol	McGowan Calculated Property
Pc	2517.59	kPa	Joback Calculated Property
Inp	[1508.00; 1545.00]
Inp	1508.00		NIST
Inp	1523.00		NIST
Inp	1532.00		NIST
Inp	1545.00		NIST
Inp	1508.00		NIST
I	[1917.00; 1960.00]
I	1917.00		NIST
I	1939.00		NIST
I	1960.00		NIST
I	1917.00		NIST
Tboil	593.19	K	Joback Calculated Property
Tc	812.11	K	Joback Calculated Property
Tfus	378.39	K	Joback Calculated Property
Vc	0.647	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[475.08; 577.14]	J/mol×K	[593.19; 812.11]
Cp,gas	475.08	J/mol×K	593.19	Joback Calculated Property
Cp,gas	494.67	J/mol×K	629.68	Joback Calculated Property
Cp,gas	513.00	J/mol×K	666.16	Joback Calculated Property
Cp,gas	530.22	J/mol×K	702.65	Joback Calculated Property
Cp,gas	546.54	J/mol×K	739.14	Joback Calculated Property
Cp,gas	562.12	J/mol×K	775.62	Joback Calculated Property
Cp,gas	577.14	J/mol×K	812.11	Joback Calculated Property

Pressure Dependent Properties

Similar Compounds

Find more compounds similar to Ethyladamantane-1-carboxylate.

Sources

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

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