Chemical Properties of Chrysene, octadecahydro- (CAS 2090-14-4)

InChI

InChI=1S/C18H30/c1-3-7-15-13(5-1)9-11-18-16-8-4-2-6-14(16)10-12-17(15)18/h13-18H,1-12H2

InChI Key

ZEMKTMFBYLHVNN-UHFFFAOYSA-N

Formula

C18H30

SMILES

C1CCC2C(C1)CCC1C3CCCCC3CCC21

Molecular Weight¹

246.43

CAS

2090-14-4

Other Names

• D-Homo-18-norestrane
• Octadecahydrochrysene
• Perhydrochrysene
• Chrysitane
• Perhydrochrysene, # 6
• Perhydrochrysene, # 7
• Perhydrochrysene, # 4
• Perhydrochrysene, # 5
• Perhydrochrysene, # 2
• Perhydrochrysene, # 3
• Perhydrochrysene, # 1

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• η : Dynamic viscosity (Pa×s).
• Δ_fG° : Standard Gibbs free energy of formation (kJ/mol).
• Δ_fH°_gas : Enthalpy of formation at standard conditions (kJ/mol).
• Δ_fusH° : Enthalpy of fusion at standard conditions (kJ/mol).
• Δ_vapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
• Δ_vapH : Enthalpy of vaporization at a given temperature (kJ/mol).
• log₁₀WS : Log10 of Water solubility in mol/l.
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• P_c : Critical Pressure (kPa).
• I_np : Non-polar retention indices.
• T_boil : Normal Boiling Point Temperature (K).
• T_c : Critical Temperature (K).
• T_fus : Normal melting (fusion) point (K).
• V_c : Critical Volume (m³/kmol).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔfG°	255.66	kJ/mol	Joback Calculated Property
ΔfH°gas	-201.29	kJ/mol	Joback Calculated Property
ΔfusH°	24.46	kJ/mol	Joback Calculated Property
ΔvapH°	55.73	kJ/mol	Joback Calculated Property
log10WS	-5.49		Crippen Calculated Property
logPoct/wat	5.419		Crippen Calculated Property
McVol	221.040	ml/mol	McGowan Calculated Property
Pc	1823.17	kPa	Joback Calculated Property
Inp	[1963.00; 1991.00]
Inp	1963.00		NIST
Inp	1972.00		NIST
Inp	1985.00		NIST
Inp	1991.00		NIST
Tboil	654.48	K	Joback Calculated Property
Tc	892.74	K	Joback Calculated Property
Tfus	334.78	K	Joback Calculated Property
Vc	0.822	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[693.36; 842.84]	J/mol×K	[654.48; 892.74]
Cp,gas	693.36	J/mol×K	654.48	Joback Calculated Property
Cp,gas	723.24	J/mol×K	694.19	Joback Calculated Property
Cp,gas	750.96	J/mol×K	733.90	Joback Calculated Property
Cp,gas	776.64	J/mol×K	773.61	Joback Calculated Property
Cp,gas	800.42	J/mol×K	813.32	Joback Calculated Property
Cp,gas	822.44	J/mol×K	853.03	Joback Calculated Property
Cp,gas	842.84	J/mol×K	892.74	Joback Calculated Property
η	[0.0012884; 0.0037204]	Pa×s	[334.78; 654.48]
η	0.0037204	Pa×s	334.78	Joback Calculated Property
η	0.0027614	Pa×s	388.06	Joback Calculated Property
η	0.0022026	Pa×s	441.35	Joback Calculated Property
η	0.0018446	Pa×s	494.63	Joback Calculated Property
η	0.0015990	Pa×s	547.91	Joback Calculated Property
η	0.0014216	Pa×s	601.20	Joback Calculated Property
η	0.0012884	Pa×s	654.48	Joback Calculated Property
ΔvapH	82.40	kJ/mol	313.00	NIST

Similar Compounds

Find more compounds similar to Chrysene, octadecahydro-.

Sources

• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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