Chemical Properties of 1Hbenz[de]anthracene, hexadecahydro-6-octyl- (CAS 7225-65-2)

InChI

InChI=1S/C25H44/c1-2-3-4-5-6-7-11-19-16-17-20-13-10-15-23-22-14-9-8-12-21(22)18-24(19)25(20)23/h19-25H,2-18H2,1H3

InChI Key

HOLRQJVOISUULR-UHFFFAOYSA-N

Formula

C25H44

SMILES

CCCCCCCCC1CCC2CCCC3C4CCCCC4CC1C23

Molecular Weight¹

344.62

CAS

7225-65-2

Other Names

• 6-n-Octyl-(hexadecahydrobenz(de)anthracene
• 6-n-Octylperhydrobenz(de)anthracene
• 6-Octyl(hexylhydrobenz[de]anthracene)

• 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).
• Δ_vapH : Enthalpy of vaporization at a given temperature (kJ/mol).
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• T_boil : Normal Boiling Point Temperature (K).
• T_fus : Normal melting (fusion) point (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Cheméo can also estimate 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, Ionization energy, 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

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[424.39; 1256.93]	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			-2.28593e+02
Coefficient B			2.85492e+00
Coefficient C			-1.81880e-03
Coefficient D			4.49400e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	424.39	J/mol×K	273.00	Calculated Property
Cp,gas	573.67	J/mol×K	353.78	Calculated Property
Cp,gas	705.45	J/mol×K	434.56	Calculated Property
Cp,gas	821.13	J/mol×K	515.33	Calculated Property
Cp,gas	922.14	J/mol×K	596.11	Calculated Property
Cp,gas	1009.91	J/mol×K	676.89	Calculated Property
Cp,gas	1085.85	J/mol×K	757.67	Calculated Property
Cp,gas	1151.39	J/mol×K	838.44	Calculated Property
Cp,gas	1207.94	J/mol×K	919.22	Calculated Property
Cp,gas	1256.93	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0042753; 0.0016738]	Pa×s	[412.95; 710.41]	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			-7.69454e+00
Coefficient B			9.24860e+02
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.			412.95
Temperature range, max.			710.41
η	0.0042753	Pa×s	412.95	Calculated Property
η	0.0036215	Pa×s	446.00	Calculated Property
η	0.0031388	Pa×s	479.05	Calculated Property
η	0.0027710	Pa×s	512.10	Calculated Property
η	0.0024837	Pa×s	545.15	Calculated Property
η	0.0022541	Pa×s	578.20	Calculated Property
η	0.0020674	Pa×s	611.25	Calculated Property
η	0.0019130	Pa×s	644.30	Calculated Property
η	0.0017836	Pa×s	677.35	Calculated Property
η	0.0016738	Pa×s	710.41	Calculated Property

Similar Compounds

Find more compounds similar to 1Hbenz[de]anthracene, hexadecahydro-6-octyl-.

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

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.
Calculated This icon marks a calculated value or equation: a prediction, not a measurement.
These property values are available through the Cheméo API. A free account gives you an access key.