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_fG° : Standard Gibbs free energy of formation (kJ/mol).
• 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).
• 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.
• I : 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
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
ΔfG°	196.47	kJ/mol	Joback Calculated Property
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°	39.37	kJ/mol	Joback Calculated Property
IE	9.24	eV	NIST
log10WS	-2.90		Crippen Calculated Property
logPoct/wat	3.079		Crippen Calculated Property
McVol	133.270	ml/mol	McGowan Calculated Property
Pc	2698.60	kPa	Joback 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
I	[1400.00; 1442.00]
I	1407.00		NIST
I	1400.00		NIST
I	1420.00		NIST
I	1442.00		NIST
Tboil	466.23	K	Joback Calculated Property
Tc	676.61	K	Joback Calculated Property
Tfus	414.00 ± 0.50	K	NIST
Vc	0.512	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[319.04; 431.62]	J/mol×K	[466.23; 676.61]
Cp,gas	319.04	J/mol×K	466.23	Joback Calculated Property
Cp,gas	341.08	J/mol×K	501.29	Joback Calculated Property
Cp,gas	361.70	J/mol×K	536.36	Joback Calculated Property
Cp,gas	380.97	J/mol×K	571.42	Joback Calculated Property
Cp,gas	398.99	J/mol×K	606.48	Joback Calculated Property
Cp,gas	415.85	J/mol×K	641.54	Joback Calculated Property
Cp,gas	431.62	J/mol×K	676.61	Joback Calculated Property
η	[0.0005341; 0.0012554]	Pa×s	[255.55; 466.23]
η	0.0005341	Pa×s	255.55	Joback Calculated Property
η	0.0006712	Pa×s	290.66	Joback Calculated Property
η	0.0008029	Pa×s	325.78	Joback Calculated Property
η	0.0009276	Pa×s	360.89	Joback Calculated Property
η	0.0010446	Pa×s	396.00	Joback Calculated Property
η	0.0011538	Pa×s	431.12	Joback Calculated Property
η	0.0012554	Pa×s	466.23	Joback Calculated Property
ΔsubH	67.50 ± 2.10	kJ/mol	320.00	NIST

Similar Compounds

Find more compounds similar to 2-Methyladamantane.

Sources

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

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