Chemical Properties of 1,2,4-Ethanylylidene-1H-cyclobuta[cd]pentalene,octahydro-5-methyl-7-methylene,(1α,1aβ,2α,3aβ,4α,5α,5aβ,5bβ)- (CAS 42607-64-7)

InChI

InChI=1S/C13H16/c1-4-8-6-3-7-9(8)5(2)11-10(4)12(6)13(7)11/h5-13H,1,3H2,2H3

InChI Key

REFUZKMRSXPUBN-UHFFFAOYSA-N

Formula

C13H16

SMILES

C=C1C2C3CC4C2C(C)C2C1C3C42

Molecular Weight¹

172.27

CAS

42607-64-7

Other Names

• 1,2,4-Ethanylylidene-1H-cyclobuta[cd]pentalene,octahydro-5-methyl-7-methylene,(1«alpha»,1a«beta»,2«alpha»,3a«beta»,4«alpha»,5«alpha»,5a«beta»,5b«beta»)-

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• η : Dynamic viscosity (Pa×s).
• Δ_fusH° : Enthalpy of fusion 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, Enthalpy of formation at standard conditions, Enthalpy of vaporization at standard conditions, 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

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[370.08; 469.99]	J/mol×K	[494.14; 693.55]
Cp,gas	370.08	J/mol×K	494.14	Joback Calculated Property
Cp,gas	390.03	J/mol×K	527.38	Joback Calculated Property
Cp,gas	408.48	J/mol×K	560.61	Joback Calculated Property
Cp,gas	425.56	J/mol×K	593.85	Joback Calculated Property
Cp,gas	441.42	J/mol×K	627.08	Joback Calculated Property
Cp,gas	456.18	J/mol×K	660.32	Joback Calculated Property
Cp,gas	469.99	J/mol×K	693.55	Joback Calculated Property
η	[0.0009407; 0.0166933]	Pa×s	[336.77; 494.14]
η	0.0009407	Pa×s	336.77	Joback Calculated Property
η	0.0018066	Pa×s	363.00	Joback Calculated Property
η	0.0031773	Pa×s	389.23	Joback Calculated Property
η	0.0052034	Pa×s	415.45	Joback Calculated Property
η	0.0080368	Pa×s	441.68	Joback Calculated Property
η	0.0118225	Pa×s	467.91	Joback Calculated Property
η	0.0166933	Pa×s	494.14	Joback Calculated Property

Similar Compounds

Find more compounds similar to 1,2,4-Ethanylylidene-1H-cyclobuta[cd]pentalene,octahydro-5-methyl-7-methylene,(1α,1aβ,2α,3aβ,4α,5α,5aβ,5bβ)-.

Sources

• 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

Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more. Take the time to validate and double check the source of the data.
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