Chemical Properties of 1,3-Diethyladamantane

InChI

InChI=1S/C14H24/c1-3-13-6-11-5-12(7-13)9-14(4-2,8-11)10-13/h11-12H,3-10H2,1-2H3

InChI Key

XHQDEOWLMBIVBU-UHFFFAOYSA-N

Formula

C14H24

SMILES

CCC12CC3CC(C1)CC(CC)(C3)C2

Molecular Weight¹

192.35

• 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).
• Δ_vapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
• IE : Ionization energy (eV).
• 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.
• T_boil : Normal Boiling Point Temperature (K).
• T_c : Critical Temperature (K).
• T_fus : Normal melting (fusion) point (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔfH°gas	-229.75	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	12.80	kJ/mol	Joback Calculated Property
ΔvapH°	59.37	kJ/mol	Relay (1.0) Calculated Property
IE	8.88	eV	Relay (1.0) Calculated Property
logPoct/wat	4.393		Crippen Calculated Property
McVol	175.540	ml/mol	McGowan Calculated Property
Pc	2289.32	kPa	Joback Calculated Property
Inp	[1377.00; 1387.00]
Inp	1377.00		NIST
Inp	1387.00		NIST
Inp	1377.00		NIST
Inp	1387.00		NIST
Inp	1377.00		NIST
Tboil	523.26	K	Relay (1.0) Calculated Property
Tc	755.71	K	Relay (1.0) Calculated Property
Tfus	320.99	K	Relay (1.0) Calculated Property

Cheméo can also estimate Critical Volume, 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	[468.15; 584.51]	J/mol×K	[540.02; 758.43]
Cp,gas	468.15	J/mol×K	540.02	Joback Calculated Property
Cp,gas	490.88	J/mol×K	576.42	Joback Calculated Property
Cp,gas	511.89	J/mol×K	612.82	Joback Calculated Property
Cp,gas	531.47	J/mol×K	649.22	Joback Calculated Property
Cp,gas	549.91	J/mol×K	685.63	Joback Calculated Property
Cp,gas	567.49	J/mol×K	722.03	Joback Calculated Property
Cp,gas	584.51	J/mol×K	758.43	Joback Calculated Property

Similar Compounds

Find more compounds similar to 1,3-Diethyladamantane.

Sources

• Cheméo Relay (1.0)
• 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.