Chemical Properties of 1-Methyl-3-ethyladamantane (CAS 1687-34-9)

InChI

InChI=1S/C13H22/c1-3-13-7-10-4-11(8-13)6-12(2,5-10)9-13/h10-11H,3-9H2,1-2H3

InChI Key

HUCLCMAVGXHPPK-UHFFFAOYSA-N

Formula

C13H22

SMILES

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

Molecular Weight¹

178.31

CAS

1687-34-9

Other Names

• 1-Ethyl-3-methyladamantane

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• 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.
• 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°	210.04	kJ/mol	Joback Calculated Property
ΔfH°gas	-89.27	kJ/mol	Joback Calculated Property
ΔfusH°	10.21	kJ/mol	Joback Calculated Property
ΔvapH°	41.83	kJ/mol	Joback Calculated Property
log10WS	-3.98		Crippen Calculated Property
logPoct/wat	4.003		Crippen Calculated Property
McVol	161.450	ml/mol	McGowan Calculated Property
Pc	2515.07	kPa	Joback Calculated Property
Inp	[1245.00; 1273.00]
Inp	1245.00		NIST
Inp	1263.00		NIST
Inp	1273.00		NIST
Inp	1245.00		NIST
Inp	1263.00		NIST
Inp	1273.00		NIST
Inp	1247.00		NIST
Tboil	517.14	K	Joback Calculated Property
Tc	739.37	K	Joback Calculated Property
Tfus	330.13	K	Joback Calculated Property
Vc	0.622	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[417.54; 531.25]	J/mol×K	[517.14; 739.37]
Cp,gas	417.54	J/mol×K	517.14	Joback Calculated Property
Cp,gas	440.16	J/mol×K	554.18	Joback Calculated Property
Cp,gas	460.91	J/mol×K	591.22	Joback Calculated Property
Cp,gas	480.10	J/mol×K	628.26	Joback Calculated Property
Cp,gas	498.02	J/mol×K	665.29	Joback Calculated Property
Cp,gas	514.97	J/mol×K	702.33	Joback Calculated Property
Cp,gas	531.25	J/mol×K	739.37	Joback Calculated Property

Similar Compounds

Find more compounds similar to 1-Methyl-3-ethyladamantane.

Sources

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

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