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_fusH° : Enthalpy of fusion at standard conditions (kJ/mol).
• 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).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔfusH°	28.24	kJ/mol	Joback Calculated Property
logPoct/wat	2.622		Crippen Calculated Property
McVol	168.890	ml/mol	McGowan 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	535.17	K	Relay (1.0) Calculated Property

Cheméo can also estimate Normal melting (fusion) point, Critical Temperature, Critical Pressure, Critical Volume, Enthalpy of formation at standard conditions, Enthalpy of vaporization at standard conditions, Standard Gibbs free energy of formation, Acentric Factor, Ionization energy, 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	[470.35; 576.73]	J/mol×K	[570.41; 778.74]
Cp,gas	470.35	J/mol×K	570.41	Joback Calculated Property
Cp,gas	491.15	J/mol×K	605.13	Joback Calculated Property
Cp,gas	510.62	J/mol×K	639.85	Joback Calculated Property
Cp,gas	528.84	J/mol×K	674.58	Joback Calculated Property
Cp,gas	545.88	J/mol×K	709.30	Joback Calculated Property
Cp,gas	561.82	J/mol×K	744.02	Joback Calculated Property
Cp,gas	576.73	J/mol×K	778.74	Joback Calculated Property
η	[0.0018072; 0.0020571]	Pa×s	[320.42; 570.41]
η	0.0020571	Pa×s	320.42	Joback Calculated Property
η	0.0019884	Pa×s	362.08	Joback Calculated Property
η	0.0019354	Pa×s	403.75	Joback Calculated Property
η	0.0018934	Pa×s	445.41	Joback Calculated Property
η	0.0018593	Pa×s	487.08	Joback Calculated Property
η	0.0018310	Pa×s	528.74	Joback Calculated Property
η	0.0018072	Pa×s	570.41	Joback Calculated Property

Similar Compounds

Find more compounds similar to 2-Ethoxycarbonyladamantane.

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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