Chemical Properties of 1,2-Dihydroben[j]aceanthrylene (CAS 479-23-2)

InChI

InChI=1S/C20H14/c1-2-7-16-13(4-1)8-10-17-18-11-9-14-5-3-6-15(20(14)18)12-19(16)17/h1-8,10,12H,9,11H2

InChI Key

KVFJBIQWENJTDM-UHFFFAOYSA-N

Formula

C20H14

SMILES

c1cc2c3c(c4ccc5ccccc5c4cc3c1)CC2

Molecular Weight¹

254.33

CAS

479-23-2

Other Names

• 1,2-Dihydrobenz[j]aceanthrylene
• 479-23-2
• cholanthrene

• 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).
• 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).
• 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°	591.92	kJ/mol	Joback Calculated Property
ΔfH°gas	407.03	kJ/mol	Joback Calculated Property
ΔfusH°	30.26	kJ/mol	Joback Calculated Property
ΔvapH°	70.01	kJ/mol	Joback Calculated Property
log10WS	[-7.85; -7.85]
log10WS	-7.85		Aq. Sol...
log10WS	-7.85		Estimat...
logPoct/wat	5.245		Crippen Calculated Property
McVol	199.660	ml/mol	McGowan Calculated Property
Pc	2515.07	kPa	Joback Calculated Property
Tboil	767.68	K	Joback Calculated Property
Tc	1029.07	K	Joback Calculated Property
Tfus	515.46	K	Joback Calculated Property
Vc	0.779	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[547.24; 628.35]	J/mol×K	[767.68; 1029.07]
Cp,gas	547.24	J/mol×K	767.68	Joback Calculated Property
Cp,gas	561.86	J/mol×K	811.24	Joback Calculated Property
Cp,gas	575.67	J/mol×K	854.81	Joback Calculated Property
Cp,gas	588.96	J/mol×K	898.37	Joback Calculated Property
Cp,gas	601.98	J/mol×K	941.94	Joback Calculated Property
Cp,gas	615.02	J/mol×K	985.50	Joback Calculated Property
Cp,gas	628.35	J/mol×K	1029.07	Joback Calculated Property
η	[0.0021560; 0.0032582]	Pa×s	[515.46; 767.68]
η	0.0032582	Pa×s	515.46	Joback Calculated Property
η	0.0029636	Pa×s	557.50	Joback Calculated Property
η	0.0027317	Pa×s	599.53	Joback Calculated Property
η	0.0025450	Pa×s	641.57	Joback Calculated Property
η	0.0023918	Pa×s	683.61	Joback Calculated Property
η	0.0022640	Pa×s	725.64	Joback Calculated Property
η	0.0021560	Pa×s	767.68	Joback Calculated Property

Similar Compounds

Find more compounds similar to 1,2-Dihydroben[j]aceanthrylene.

Sources

• Crippen Method
• Joback Method
• Aqueous Solubility Prediction Method
• Estimated Solubility Method
• McGowan Method
• NIST Webbook

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