Chemical Properties of 2-phenyl-adamantane

InChI

InChI=1S/C16H20/c1-2-4-13(5-3-1)16-14-7-11-6-12(9-14)10-15(16)8-11/h1-5,11-12,14-16H,6-10H2/t11-,12?,14+,15?,16?/m0/s1

InChI Key

MWQZYLIXDPNHFG-PMONVTPFSA-N

Formula

C16H20

SMILES

c1ccc(C2C3CC4CC(C3)CC2C4)cc1

Molecular Weight¹

212.33

• 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.
• T_boil : Normal Boiling Point Temperature (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Cheméo can also estimate Normal melting (fusion) point, 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	[216.96; 680.57]	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			-1.89530e+02
Coefficient B			1.83500e+00
Coefficient C			-1.38120e-03
Coefficient D			4.16300e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	216.96	J/mol×K	273.00	Calculated Property
Cp,gas	305.22	J/mol×K	353.78	Calculated Property
Cp,gas	381.22	J/mol×K	434.56	Calculated Property
Cp,gas	446.28	J/mol×K	515.33	Calculated Property
Cp,gas	501.71	J/mol×K	596.11	Calculated Property
Cp,gas	548.83	J/mol×K	676.89	Calculated Property
Cp,gas	588.97	J/mol×K	757.67	Calculated Property
Cp,gas	623.42	J/mol×K	838.44	Calculated Property
Cp,gas	653.52	J/mol×K	919.22	Calculated Property
Cp,gas	680.57	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0022093; 0.0021514]	Pa×s	[338.32; 593.25]	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			-6.17683e+00
Coefficient B			2.08900e+01
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Temperature range, min.			338.32
Temperature range, max.			593.25
η	0.0022093	Pa×s	338.32	Calculated Property
η	0.0021988	Pa×s	366.65	Calculated Property
η	0.0021898	Pa×s	394.97	Calculated Property
η	0.0021821	Pa×s	423.30	Calculated Property
η	0.0021753	Pa×s	451.62	Calculated Property
η	0.0021694	Pa×s	479.95	Calculated Property
η	0.0021641	Pa×s	508.27	Calculated Property
η	0.0021595	Pa×s	536.60	Calculated Property
η	0.0021552	Pa×s	564.93	Calculated Property
η	0.0021514	Pa×s	593.25	Calculated Property

Similar Compounds

Find more compounds similar to 2-phenyl-adamantane.

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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