Chemical Properties of 2-methyleneadamantane

InChI

InChI=1S/C11H16/c1-7-10-3-8-2-9(5-10)6-11(7)4-8/h8-11H,1-6H2

InChI Key

JTCQPLINQYIRDZ-UHFFFAOYSA-N

Formula

C11H16

SMILES

C=C1C2CC3CC(C2)CC1C3

Molecular Weight¹

148.24

• 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_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).
• 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
ΔfH°gas	-42.80	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	16.46	kJ/mol	Joback Calculated Property
ΔvapH°	51.98	kJ/mol	Relay (1.0) Calculated Property
IE	8.70	eV	Relay (1.0) Calculated Property
logPoct/wat	2.999		Crippen Calculated Property
McVol	128.970	ml/mol	McGowan Calculated Property
Inp	[1160.00; 1197.00]
Inp	1160.00		NIST
Inp	1173.00		NIST
Inp	1181.00		NIST
Inp	1197.00		NIST
Ip	[1388.00; 1429.00]
Ip	1388.00		NIST
Ip	1407.00		NIST
Ip	1429.00		NIST
Tfus	443.97	K	Relay (1.0) Calculated Property

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.

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[162.38; 502.57]	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			-1.34730e+02
Coefficient B			1.34790e+00
Coefficient C			-1.04100e-03
Coefficient D			3.30400e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	162.38	J/mol×K	273.00	Calculated Property
Cp,gas	226.47	J/mol×K	353.78	Calculated Property
Cp,gas	281.54	J/mol×K	434.56	Calculated Property
Cp,gas	328.65	J/mol×K	515.33	Calculated Property
Cp,gas	368.84	J/mol×K	596.11	Calculated Property
Cp,gas	403.15	J/mol×K	676.89	Calculated Property
Cp,gas	432.64	J/mol×K	757.67	Calculated Property
Cp,gas	458.34	J/mol×K	838.44	Calculated Property
Cp,gas	481.30	J/mol×K	919.22	Calculated Property
Cp,gas	502.57	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0007208; 0.0013230]	Pa×s	[273.47; 478.07]	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			-5.81611e+00
Coefficient B			-3.88060e+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.			273.47
Temperature range, max.			478.07
η	0.0007208	Pa×s	273.47	Calculated Property
η	0.0008037	Pa×s	296.20	Calculated Property
η	0.0008824	Pa×s	318.94	Calculated Property
η	0.0009568	Pa×s	341.67	Calculated Property
η	0.0010271	Pa×s	364.40	Calculated Property
η	0.0010934	Pa×s	387.13	Calculated Property
η	0.0011559	Pa×s	409.87	Calculated Property
η	0.0012148	Pa×s	432.60	Calculated Property
η	0.0012705	Pa×s	455.33	Calculated Property
η	0.0013230	Pa×s	478.07	Calculated Property

Similar Compounds

Find more compounds similar to 2-methyleneadamantane.

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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