Chemical Properties of Tricyclo[8.2.2.24,7]hexadeca-4,6,10,12,13,15-hexaene, 5,15-dimethyl- (CAS 35117-18-1)

InChI

InChI=1S/C18H20/c1-13-11-18-10-8-16-5-3-15(4-6-16)7-9-17(13)12-14(18)2/h3-6,11-12H,7-10H2,1-2H3

InChI Key

DMYJUNAWBVZYFU-UHFFFAOYSA-N

Formula

C18H20

SMILES

Cc1cc2c(C)cc1CCc1ccc(cc1)CC2

Molecular Weight¹

236.35

CAS

35117-18-1

• 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).
• 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
ΔfH°gas	146.56	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	23.87	kJ/mol	Joback Calculated Property
IE	[7.40; 7.75]	eV
IE	7.40	eV	NIST
IE	7.75 ± 0.05	eV	NIST
logPoct/wat	4.187		Crippen Calculated Property
McVol	206.100	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 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	[252.42; 673.61]	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			-8.53900e+01
Coefficient B			1.48584e+00
Coefficient C			-9.78840e-04
Coefficient D			2.52000e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	252.42	J/mol×K	273.00	Calculated Property
Cp,gas	328.91	J/mol×K	353.78	Calculated Property
Cp,gas	396.13	J/mol×K	434.56	Calculated Property
Cp,gas	454.85	J/mol×K	515.33	Calculated Property
Cp,gas	505.89	J/mol×K	596.11	Calculated Property
Cp,gas	550.03	J/mol×K	676.89	Calculated Property
Cp,gas	588.08	J/mol×K	757.67	Calculated Property
Cp,gas	620.82	J/mol×K	838.44	Calculated Property
Cp,gas	649.07	J/mol×K	919.22	Calculated Property
Cp,gas	673.61	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0011932; 0.0002304]	Pa×s	[414.20; 663.62]	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			-1.11067e+01
Coefficient B			1.81234e+03
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Temperature range, min.			414.20
Temperature range, max.			663.62
η	0.0011932	Pa×s	414.20	Calculated Property
η	0.0009069	Pa×s	441.91	Calculated Property
η	0.0007119	Pa×s	469.63	Calculated Property
η	0.0005742	Pa×s	497.34	Calculated Property
η	0.0004737	Pa×s	525.05	Calculated Property
η	0.0003984	Pa×s	552.77	Calculated Property
η	0.0003407	Pa×s	580.48	Calculated Property
η	0.0002955	Pa×s	608.19	Calculated Property
η	0.0002595	Pa×s	635.91	Calculated Property
η	0.0002304	Pa×s	663.62	Calculated Property

Similar Compounds

Find more compounds similar to Tricyclo[8.2.2.24,7]hexadeca-4,6,10,12,13,15-hexaene, 5,15-dimethyl-.

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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