Chemical Properties of Tricyclo[3.3.1.13,7]decane, 2-ethyl- (CAS 14451-87-7)

InChI

InChI=1S/C12H20/c1-2-12-10-4-8-3-9(6-10)7-11(12)5-8/h8-12H,2-7H2,1H3

InChI Key

LIAWCKFOFPPVGF-UHFFFAOYSA-N

Formula

C12H20

SMILES

CCC1C2CC3CC(C2)CC1C3

Molecular Weight¹

164.29

CAS

14451-87-7

Other Names

• 2-Ethyladamantane

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• η : Dynamic viscosity (Pa×s).
• 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_fus : Normal melting (fusion) point (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔfH°gas	-172.72	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	21.28	kJ/mol	Joback Calculated Property
IE	9.20	eV	NIST
logPoct/wat	3.469		Crippen Calculated Property
McVol	147.360	ml/mol	McGowan Calculated Property
Inp	[1258.00; 1329.00]
Inp	1323.00		NIST
Inp	1262.00		NIST
Inp	1286.00		NIST
Inp	1295.00		NIST
Inp	1284.00		NIST
Inp	1306.00		NIST
Inp	1258.00		NIST
Inp	1262.00		NIST
Inp	1270.00		NIST
Inp	1280.00		NIST
Inp	1286.00		NIST
Inp	1295.00		NIST
Inp	1306.00		NIST
Inp	1312.00		NIST
Inp	1320.00		NIST
Inp	1258.00		NIST
Inp	1329.00		NIST
Inp	1262.00		NIST
Inp	1270.00		NIST
Inp	1280.00		NIST
Inp	1284.00		NIST
Inp	1299.00		NIST
Inp	1310.00		NIST
Inp	1323.00		NIST
Inp	1265.00		NIST
Inp	1284.00		NIST
Inp	1284.00		NIST
Inp	1284.00		NIST
Inp	1323.00		NIST
Inp	1306.00		NIST
Inp	1286.00		NIST
Inp	1258.00		NIST
I	[1482.00; 1525.00]
I	1482.00		NIST
I	1505.00		NIST
I	1525.00		NIST
I	1482.00		NIST
Tfus	406.84	K	Relay (1.0) Calculated Property

Cheméo can also estimate Normal Boiling Point Temperature, 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	[367.66; 483.14]	J/mol×K	[489.31; 696.80]
Cp,gas	367.66	J/mol×K	489.31	Joback Calculated Property
Cp,gas	390.17	J/mol×K	523.89	Joback Calculated Property
Cp,gas	411.26	J/mol×K	558.47	Joback Calculated Property
Cp,gas	431.02	J/mol×K	593.06	Joback Calculated Property
Cp,gas	449.53	J/mol×K	627.64	Joback Calculated Property
Cp,gas	466.87	J/mol×K	662.22	Joback Calculated Property
Cp,gas	483.14	J/mol×K	696.80	Joback Calculated Property
η	[0.0007378; 0.0014320]	Pa×s	[266.82; 489.31]
η	0.0007378	Pa×s	266.82	Joback Calculated Property
η	0.0008815	Pa×s	303.90	Joback Calculated Property
η	0.0010132	Pa×s	340.98	Joback Calculated Property
η	0.0011332	Pa×s	378.06	Joback Calculated Property
η	0.0012423	Pa×s	415.15	Joback Calculated Property
η	0.0013416	Pa×s	452.23	Joback Calculated Property
η	0.0014320	Pa×s	489.31	Joback Calculated Property

Similar Compounds

Find more compounds similar to Tricyclo[3.3.1.13,7]decane, 2-ethyl-.

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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