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.

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[189.18; 576.31]	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			-1.93610e+02
Coefficient B			1.80822e+00
Coefficient C			-1.65600e-03
Coefficient D			6.17700e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	189.18	J/mol×K	273.00	Calculated Property
Cp,gas	266.19	J/mol×K	353.78	Calculated Property
Cp,gas	330.13	J/mol×K	434.56	Calculated Property
Cp,gas	382.98	J/mol×K	515.33	Calculated Property
Cp,gas	426.68	J/mol×K	596.11	Calculated Property
Cp,gas	463.18	J/mol×K	676.89	Calculated Property
Cp,gas	494.44	J/mol×K	757.67	Calculated Property
Cp,gas	522.42	J/mol×K	838.44	Calculated Property
Cp,gas	549.05	J/mol×K	919.22	Calculated Property
Cp,gas	576.31	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0009407; 0.0149588]	Pa×s	[336.77; 485.49]	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			2.06207e+00
Coefficient B			-3.04134e+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.			336.77
Temperature range, max.			485.49
η	0.0009407	Pa×s	336.77	Calculated Property
η	0.0014352	Pa×s	353.29	Calculated Property
η	0.0021084	Pa×s	369.82	Calculated Property
η	0.0029972	Pa×s	386.34	Calculated Property
η	0.0041395	Pa×s	402.87	Calculated Property
η	0.0055734	Pa×s	419.39	Calculated Property
η	0.0073368	Pa×s	435.91	Calculated Property
η	0.0094661	Pa×s	452.44	Calculated Property
η	0.0119960	Pa×s	468.96	Calculated Property
η	0.0149588	Pa×s	485.49	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

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