Chemical Properties of 2-Methyladamantane (CAS 700-56-1)

InChI

InChI=1S/C11H18/c1-7-10-3-8-2-9(5-10)6-11(7)4-8/h7-11H,2-6H2,1H3

InChI Key

VMODAALDMAYACB-UHFFFAOYSA-N

Formula

C11H18

SMILES

CC1C2CC3CC(C2)CC1C3

Molecular Weight¹

150.26

CAS

700-56-1

Other Names

• Tricyclo[3.3.1.1

• Δ_cH°_solid : Standard solid enthalpy of combustion (kJ/mol).
• 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_fH°_solid : Solid phase enthalpy of formation at standard conditions (kJ/mol).
• Δ_fusH° : Enthalpy of fusion at standard conditions (kJ/mol).
• Δ_subH° : Enthalpy of sublimation at standard conditions (kJ/mol).
• Δ_subH : Enthalpy of sublimation at a given temperature (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).
• I_np : Non-polar retention indices.
• I_p : 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
ΔcH°solid	[-6684.40; -6676.00]	kJ/mol
ΔcH°solid	-6684.40 ± 1.20	kJ/mol	NIST
ΔcH°solid	-6676.00 ± 2.00	kJ/mol	NIST
ΔfH°gas	[-152.00; -151.40]	kJ/mol
ΔfH°gas	-152.00 ± 4.40	kJ/mol	NIST
ΔfH°gas	-151.40 ± 4.00	kJ/mol	NIST
ΔfH°solid	[-225.00; -216.70]	kJ/mol
ΔfH°solid	-216.70 ± 1.20	kJ/mol	NIST
ΔfH°solid	-225.00 ± 2.00	kJ/mol	NIST
ΔfusH°	18.69	kJ/mol	Joback Calculated Property
ΔsubH°	[64.70; 73.60]	kJ/mol
ΔsubH°	67.53	kJ/mol	NIST
ΔsubH°	64.70	kJ/mol	NIST
ΔsubH°	68.00 ± 1.00	kJ/mol	NIST
ΔsubH°	73.60	kJ/mol	NIST
ΔsubH°	68.20 ± 1.30	kJ/mol	NIST
ΔvapH°	53.41	kJ/mol	Relay (1.0) Calculated Property
IE	9.24	eV	NIST
logPoct/wat	3.079		Crippen Calculated Property
McVol	133.270	ml/mol	McGowan Calculated Property
Inp	[1162.00; 1209.00]
Inp	1200.00		NIST
Inp	1176.20		NIST
Inp	1166.00		NIST
Inp	1175.00		NIST
Inp	1182.00		NIST
Inp	1192.00		NIST
Inp	1192.00		NIST
Inp	1200.00		NIST
Inp	1168.00		NIST
Inp	1175.00		NIST
Inp	1182.00		NIST
Inp	1192.00		NIST
Inp	1175.00		NIST
Inp	1182.00		NIST
Inp	1187.00		NIST
Inp	1192.00		NIST
Inp	1200.00		NIST
Inp	1162.00		NIST
Inp	1168.00		NIST
Inp	1175.00		NIST
Inp	1182.00		NIST
Inp	1192.00		NIST
Inp	1196.00		NIST
Inp	1209.00		NIST
Inp	1168.00		NIST
Inp	1196.00		NIST
Inp	1196.00		NIST
Inp	1200.00		NIST
Inp	1192.00		NIST
Inp	1182.00		NIST
Ip	[1400.00; 1442.00]
Ip	1407.00		NIST
Ip	1400.00		NIST
Ip	1420.00		NIST
Ip	1442.00		NIST
Tfus	414.00 ± 0.50	K	NIST

Cheméo can also estimate Normal Boiling Point Temperature, Critical Temperature, Critical Pressure, 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

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[168.14; 541.14]	J/mol×K	[273.00; 1000.00]	Joback Predicted correlation
Equation			Y = A + B·T + C·T² + D·T³ + E·T⁴ Y is Cp,gas in J/mol×K, T in K
Coefficient A			-1.51080e+02
Coefficient B			1.43892e+00
Coefficient C			-1.07800e-03
Coefficient D			3.31300e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	168.14	J/mol×K	273.00	Calculated Property
Cp,gas	237.73	J/mol×K	353.78	Calculated Property
Cp,gas	297.83	J/mol×K	434.56	Calculated Property
Cp,gas	349.50	J/mol×K	515.33	Calculated Property
Cp,gas	393.79	J/mol×K	596.11	Calculated Property
Cp,gas	431.74	J/mol×K	676.89	Calculated Property
Cp,gas	464.40	J/mol×K	757.67	Calculated Property
Cp,gas	492.83	J/mol×K	838.44	Calculated Property
Cp,gas	518.06	J/mol×K	919.22	Calculated Property
Cp,gas	541.14	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0011015; 0.0012765]	Pa×s	[414.00; 473.83]	Joback Predicted correlation
Equation			Y = exp(A + B/T + C·ln(T) + D·T^E) Y is η in Pa×s, T in K
Coefficient A			-5.64360e+00
Coefficient B			-4.83330e+02
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Comment			Liquid phase. Joback/Reid (1987), valid from Tf to 0.7·Tc.
Temperature range, min.			414.00
Temperature range, max.			473.83
η	0.0011015	Pa×s	414.00	Calculated Property
η	0.0011220	Pa×s	420.65	Calculated Property
η	0.0011423	Pa×s	427.29	Calculated Property
η	0.0011622	Pa×s	433.94	Calculated Property
η	0.0011819	Pa×s	440.59	Calculated Property
η	0.0012014	Pa×s	447.24	Calculated Property
η	0.0012205	Pa×s	453.88	Calculated Property
η	0.0012394	Pa×s	460.53	Calculated Property
η	0.0012581	Pa×s	467.18	Calculated Property
η	0.0012765	Pa×s	473.83	Calculated Property

Similar Compounds

Find more compounds similar to 2-Methyladamantane.

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

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