Chemical Properties of Syn-7,14-dihydro-7,14-dimethylene-1,6:8,13-bismethano[14]annulene (CAS 109216-46-8)

InChI

InChI=1S/C18H16/c1-13-15-7-3-5-9-17(11-15)14(2)18-10-6-4-8-16(13)12-18/h3-10H,1-2,11-12H2

InChI Key

RGWOSRBWFUXUPC-UHFFFAOYSA-N

Formula

C18H16

SMILES

C=C1C2=CC=CC=C(C2)C(=C)C2=CC=CC=C1C2

Molecular Weight¹

232.32

CAS

109216-46-8

• 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

Property	Value	Unit	Source
ΔfusH°	22.33	kJ/mol	Joback Calculated Property
IE	[7.70; 7.90]	eV
IE	7.70	eV	NIST
IE	7.90	eV	NIST
logPoct/wat	4.738		Crippen Calculated Property
McVol	197.500	ml/mol	McGowan Calculated Property

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	[240.33; 615.87]	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			-6.94100e+01
Coefficient B			1.36980e+00
Coefficient C			-9.28120e-04
Coefficient D			2.43600e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	240.33	J/mol×K	273.00	Calculated Property
Cp,gas	309.82	J/mol×K	353.78	Calculated Property
Cp,gas	370.57	J/mol×K	434.56	Calculated Property
Cp,gas	423.35	J/mol×K	515.33	Calculated Property
Cp,gas	468.94	J/mol×K	596.11	Calculated Property
Cp,gas	508.10	J/mol×K	676.89	Calculated Property
Cp,gas	541.60	J/mol×K	757.67	Calculated Property
Cp,gas	570.22	J/mol×K	838.44	Calculated Property
Cp,gas	594.72	J/mol×K	919.22	Calculated Property
Cp,gas	615.87	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0012230; 0.0002969]	Pa×s	[416.52; 657.24]	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			-1.05719e+01
Coefficient B			1.61002e+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.			416.52
Temperature range, max.			657.24
η	0.0012230	Pa×s	416.52	Calculated Property
η	0.0009686	Pa×s	443.27	Calculated Property
η	0.0007877	Pa×s	470.01	Calculated Property
η	0.0006550	Pa×s	496.76	Calculated Property
η	0.0005551	Pa×s	523.51	Calculated Property
η	0.0004780	Pa×s	550.25	Calculated Property
η	0.0004174	Pa×s	577.00	Calculated Property
η	0.0003688	Pa×s	603.74	Calculated Property
η	0.0003294	Pa×s	630.49	Calculated Property
η	0.0002969	Pa×s	657.24	Calculated Property

Similar Compounds

Find more compounds similar to Syn-7,14-dihydro-7,14-dimethylene-1,6:8,13-bismethano[14]annulene.

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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