Chemical Properties of 2,2'-diadamantane (CAS 29542-62-9)

InChI

InChI=1S/C20H30/c1-11-3-15-5-12(1)6-16(4-11)19(15)20-17-7-13-2-14(9-17)10-18(20)8-13/h11-20H,1-10H2

InChI Key

FFLXOPFAPWKULC-UHFFFAOYSA-N

Formula

C20H30

SMILES

C1C2CC3CC1CC(C2)C3C1C2CC3CC(C2)CC1C3

Molecular Weight¹

270.45

CAS

29542-62-9

Other Names

• 2,2'-Biadamantane

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

Physical Properties

Property	Value	Unit	Source
ΔfH°gas	-303.20	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	36.45	kJ/mol	Joback Calculated Property
ΔvapH°	92.78	kJ/mol	Relay (1.0) Calculated Property
IE	8.99	eV	Relay (1.0) Calculated Property
logPoct/wat	5.131		Crippen Calculated Property
McVol	227.500	ml/mol	McGowan Calculated Property
Inp	[2165.00; 2238.00]
Inp	2165.00		NIST
Inp	2181.00		NIST
Inp	2200.00		NIST
Inp	2219.00		NIST
Inp	2238.00		NIST
Inp	2165.00		NIST
Tfus	606.31	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	[288.38; 959.77]	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			-3.03230e+02
Coefficient B			2.68400e+00
Coefficient C			-2.07100e-03
Coefficient D			6.50000e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	288.38	J/mol×K	273.00	Calculated Property
Cp,gas	415.89	J/mol×K	353.78	Calculated Property
Cp,gas	525.37	J/mol×K	434.56	Calculated Property
Cp,gas	618.89	J/mol×K	515.33	Calculated Property
Cp,gas	698.49	J/mol×K	596.11	Calculated Property
Cp,gas	766.24	J/mol×K	676.89	Calculated Property
Cp,gas	824.19	J/mol×K	757.67	Calculated Property
Cp,gas	874.39	J/mol×K	838.44	Calculated Property
Cp,gas	918.90	J/mol×K	919.22	Calculated Property
Cp,gas	959.77	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0086825; 0.0349989]	Pa×s	[398.80; 642.57]	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			-1.07188e+00
Coefficient B			-1.46542e+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.			398.80
Temperature range, max.			642.57
η	0.0086825	Pa×s	398.80	Calculated Property
η	0.0109682	Pa×s	425.89	Calculated Property
η	0.0134738	Pa×s	452.97	Calculated Property
η	0.0161720	Pa×s	480.06	Calculated Property
η	0.0190357	Pa×s	507.14	Calculated Property
η	0.0220391	Pa×s	534.23	Calculated Property
η	0.0251581	Pa×s	561.31	Calculated Property
η	0.0283707	Pa×s	588.40	Calculated Property
η	0.0316569	Pa×s	615.48	Calculated Property
η	0.0349989	Pa×s	642.57	Calculated Property

Similar Compounds

Find more compounds similar to 2,2'-diadamantane.

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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