Chemical Properties of dodecahedrane

InChI

InChI=1S/C20H20/c1-2-5-7-3(1)9-10-4(1)8-6(2)12-11(5)17-13(7)15(9)19-16(10)14(8)18(12)20(17)19/h1-20H

InChI Key

OOHPORRAEMMMCX-UHFFFAOYSA-N

Formula

C20H20

SMILES

C12C3C4C5C1C1C6C2C2C3C3C4C4C5C1C1C6C2C3C41

Molecular Weight¹

260.38

Other Names

• Pentagonal dodecahedrane

• PAff : Proton affinity (kJ/mol).
• BasG : Gas basicity (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_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).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Cheméo can also estimate Normal Boiling Point Temperature, 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	[255.87; 865.07]	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			-4.47930e+02
Coefficient B			3.45000e+00
Coefficient C			-3.59100e-03
Coefficient D			1.45400e-06
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	255.87	J/mol×K	273.00	Calculated Property
Cp,gas	387.54	J/mol×K	353.78	Calculated Property
Cp,gas	492.48	J/mol×K	434.56	Calculated Property
Cp,gas	575.30	J/mol×K	515.33	Calculated Property
Cp,gas	640.59	J/mol×K	596.11	Calculated Property
Cp,gas	692.96	J/mol×K	676.89	Calculated Property
Cp,gas	736.99	J/mol×K	757.67	Calculated Property
Cp,gas	777.28	J/mol×K	838.44	Calculated Property
Cp,gas	818.44	J/mol×K	919.22	Calculated Property
Cp,gas	865.07	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[21.5123047; 127.6069777]	Pa×s	[520.10; 583.82]	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			1.93801e+01
Coefficient B			-8.48362e+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.			520.10
Temperature range, max.			583.82
η	21.5123047	Pa×s	520.10	Calculated Property
η	26.7810121	Pa×s	527.18	Calculated Property
η	33.1470883	Pa×s	534.26	Calculated Property
η	40.7982071	Pa×s	541.34	Calculated Property
η	49.9468265	Pa×s	548.42	Calculated Property
η	60.8323925	Pa×s	555.50	Calculated Property
η	73.7236172	Pa×s	562.58	Calculated Property
η	88.9208237	Pa×s	569.66	Calculated Property
η	106.7583460	Pa×s	576.74	Calculated Property
η	127.6069777	Pa×s	583.82	Calculated Property

Similar Compounds

Find more compounds similar to dodecahedrane.

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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