Chemical Properties of 1,3-Dimethyl-5-ethyladamantane (CAS 1687-35-0)

InChI

InChI=1S/C14H24/c1-4-14-7-11-5-12(2,9-14)8-13(3,6-11)10-14/h11H,4-10H2,1-3H3

InChI Key

FTNPDAKMYKMVKB-UHFFFAOYSA-N

Formula

C14H24

SMILES

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

Molecular Weight¹

192.34

CAS

1687-35-0

Other Names

• 5-Ethyl-1,3-dimethyladamantane
• 1-Ethyl-3,5-dimethyladamantane
• 1-ethyl-3,5-methyladamantane

• 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.
• I : 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	-258.08	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	6.50	kJ/mol	Joback Calculated Property
ΔvapH°	55.67	kJ/mol	Relay (1.0) Calculated Property
IE	8.90	eV	Relay (1.0) Calculated Property
logPoct/wat	4.393		Crippen Calculated Property
McVol	175.540	ml/mol	McGowan Calculated Property
Pc	2391.19	kPa	Joback Calculated Property
Inp	[1252.00; 1321.00]
Inp	1313.00		NIST
Inp	1279.00		NIST
Inp	1263.00		NIST
Inp	1267.00		NIST
Inp	1276.00		NIST
Inp	1287.00		NIST
Inp	1263.00		NIST
Inp	Outlier 1321.00		NIST
Inp	1267.00		NIST
Inp	1276.00		NIST
Inp	1285.00		NIST
Inp	1279.00		NIST
Inp	1291.00		NIST
Inp	1303.00		NIST
Inp	1313.00		NIST
Inp	1252.00		NIST
Inp	1279.00		NIST
Inp	1279.00		NIST
Inp	1279.00		NIST
I	[1406.00; 1441.00]
I	1406.00		NIST
I	1421.00		NIST
I	1441.00		NIST
Tboil	515.50	K	Relay (1.0) Calculated Property
Tc	740.50	K	Relay (1.0) Calculated Property
Tfus	252.76	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	[467.57; 583.92]	J/mol×K	[540.26; 767.88]
Cp,gas	467.57	J/mol×K	540.26	Joback Calculated Property
Cp,gas	490.29	J/mol×K	578.20	Joback Calculated Property
Cp,gas	511.11	J/mol×K	616.13	Joback Calculated Property
Cp,gas	530.47	J/mol×K	654.07	Joback Calculated Property
Cp,gas	548.77	J/mol×K	692.01	Joback Calculated Property
Cp,gas	566.45	J/mol×K	729.94	Joback Calculated Property
Cp,gas	583.92	J/mol×K	767.88	Joback Calculated Property

Similar Compounds

Find more compounds similar to 1,3-Dimethyl-5-ethyladamantane.

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.
Outlier This icon means that the value is more than 2 standard deviations away from the property mean.
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