Chemical Properties of 2-Ethoxycarbonyladamantane

InChI

InChI=1S/C13H20O2/c1-2-15-13(14)12-10-4-8-3-9(6-10)7-11(12)5-8/h8-12H,2-7H2,1H3

InChI Key

VYLWDQILLRTFOG-UHFFFAOYSA-N

Formula

C13H20O2

SMILES

CCOC(=O)C1C2CC3CC(C2)CC1C3

Molecular Weight¹

208.30

Other Names

• Adamantane-2-carboxylic acid, ethyl ester

• 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).
• 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_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°	-20.61	kJ/mol	Joback Calculated Property
ΔfH°gas	-384.89	kJ/mol	Joback Calculated Property
ΔfusH°	26.66	kJ/mol	Joback Calculated Property
ΔvapH°	52.98	kJ/mol	Joback Calculated Property
log10WS	-2.60		Crippen Calculated Property
logPoct/wat	2.622		Crippen Calculated Property
McVol	168.890	ml/mol	McGowan Calculated Property
Pc	2331.52	kPa	Joback Calculated Property
Inp	[1529.00; 1566.00]
Inp	1529.00		NIST
Inp	1542.00		NIST
Inp	1555.00		NIST
Inp	1566.00		NIST
I	[1954.00; 1999.00]
I	1954.00		NIST
I	1976.00		NIST
I	1999.00		NIST
I	1954.00		NIST
Tboil	588.28	K	Joback Calculated Property
Tc	798.95	K	Joback Calculated Property
Tfus	350.25	K	Joback Calculated Property
Vc	0.648	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[478.03; 582.29]	J/mol×K	[588.28; 798.95]
Cp,gas	478.03	J/mol×K	588.28	Joback Calculated Property
Cp,gas	498.32	J/mol×K	623.39	Joback Calculated Property
Cp,gas	517.33	J/mol×K	658.50	Joback Calculated Property
Cp,gas	535.17	J/mol×K	693.61	Joback Calculated Property
Cp,gas	551.89	J/mol×K	728.72	Joback Calculated Property
Cp,gas	567.57	J/mol×K	763.83	Joback Calculated Property
Cp,gas	582.29	J/mol×K	798.95	Joback Calculated Property
η	[0.0021821; 0.0023748]	Pa×s	[350.25; 588.28]
η	0.0023748	Pa×s	350.25	Joback Calculated Property
η	0.0023248	Pa×s	389.92	Joback Calculated Property
η	0.0022848	Pa×s	429.59	Joback Calculated Property
η	0.0022521	Pa×s	469.26	Joback Calculated Property
η	0.0022249	Pa×s	508.94	Joback Calculated Property
η	0.0022018	Pa×s	548.61	Joback Calculated Property
η	0.0021821	Pa×s	588.28	Joback Calculated Property

Similar Compounds

Find more compounds similar to 2-Ethoxycarbonyladamantane.

Sources

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

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