Chemical Properties of 4-Methyldiadamantane

InChI

InChI=1S/C15H22/c1-7-9-5-11-10-2-8-3-13(11)15(7)14(4-8)12(10)6-9/h7-15H,2-6H2,1H3

InChI Key

XCSWTEQBPOHNPL-UHFFFAOYSA-N

Formula

C15H22

SMILES

CC1C2CC3C4CC5CC3C1C(C5)C4C2

Molecular Weight¹

202.34

• 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).
• T_fus : Normal melting (fusion) point (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔcH°solid	-8786.19 ± 0.71	kJ/mol	NIST
ΔfH°gas	-182.10 ± 1.30	kJ/mol	NIST
ΔfH°solid	-261.50 ± 0.71	kJ/mol	NIST
ΔfusH°	31.66	kJ/mol	Joback Calculated Property
ΔsubH°	[79.40; 79.41]	kJ/mol
ΔsubH°	79.41	kJ/mol	NIST
ΔsubH°	79.40	kJ/mol	NIST
ΔvapH°	70.13	kJ/mol	Relay (1.0) Calculated Property
IE	8.98	eV	Relay (1.0) Calculated Property
logPoct/wat	3.571		Crippen Calculated Property
McVol	167.910	ml/mol	McGowan Calculated Property
Tfus	461.57	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.

Temperature Dependent Properties

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[220.43; 716.74]	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			-2.33080e+02
Coefficient B			2.08692e+00
Coefficient C			-1.71800e-03
Coefficient D			5.80900e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	220.43	J/mol×K	273.00	Calculated Property
Cp,gas	315.92	J/mol×K	353.78	Calculated Property
Cp,gas	397.05	J/mol×K	434.56	Calculated Property
Cp,gas	465.63	J/mol×K	515.33	Calculated Property
Cp,gas	523.52	J/mol×K	596.11	Calculated Property
Cp,gas	572.54	J/mol×K	676.89	Calculated Property
Cp,gas	614.54	J/mol×K	757.67	Calculated Property
Cp,gas	651.34	J/mol×K	838.44	Calculated Property
Cp,gas	684.80	J/mol×K	919.22	Calculated Property
Cp,gas	716.74	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0015163; 0.0153126]	Pa×s	[335.07; 537.00]	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			-3.42046e-01
Coefficient B			-2.06049e+03
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.			335.07
Temperature range, max.			537.00
η	0.0015163	Pa×s	335.07	Calculated Property
η	0.0022305	Pa×s	357.51	Calculated Property
η	0.0031348	Pa×s	379.94	Calculated Property
η	0.0042417	Pa×s	402.38	Calculated Property
η	0.0055590	Pa×s	424.82	Calculated Property
η	0.0070903	Pa×s	447.25	Calculated Property
η	0.0088357	Pa×s	469.69	Calculated Property
η	0.0107920	Pa×s	492.13	Calculated Property
η	0.0129535	Pa×s	514.56	Calculated Property
η	0.0153126	Pa×s	537.00	Calculated Property

Similar Compounds

Find more compounds similar to 4-Methyldiadamantane.

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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