Chemical Properties of Dibenzo[drf,mno]chrysene, 2,3-dihydro

InChI

InChI=1S/C22H14/c1-3-13-7-9-18-12-16-6-2-4-14-8-10-17-11-15(5-1)19(13)21(18)22(17)20(14)16/h1,3,5-12H,2,4H2

InChI Key

KDWIJRYPLQEXLS-UHFFFAOYSA-N

Formula

C22H14

SMILES

C1=c2cc3ccc4cccc5cc6ccc(c2c6c3c45)CC1

Molecular Weight¹

278.35

Other Names

• 2,3-dihydrodibenzo[def,mno]chrysene

• ω : Acentric Factor.
• Δ_fG° : Standard Gibbs free energy of formation (kJ/mol).
• Δ_fH°_gas : Enthalpy of formation at standard conditions (kJ/mol).
• Δ_vapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
• IE : Ionization energy (eV).
• 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
ω	0.6588		Relay (1.0) Calculated Property
ΔfG°	421.25	kJ/mol	Relay (1.0-beta) Calculated Property
ΔfH°gas	414.46	kJ/mol	Relay (1.0) Calculated Property
ΔvapH°	124.83	kJ/mol	Relay (1.0) Calculated Property
IE	6.84	eV	Relay (1.0) Calculated Property
log10WS	-8.13		Relay (1.0) Calculated Property
logPoct/wat	5.183		Crippen Calculated Property
McVol	212.680	ml/mol	McGowan Calculated Property
Pc	1371.55	kPa	Relay (1.0-beta) Calculated Property
Inp	[503.91; 503.91]
Inp	503.91		NIST
Inp	503.91		NIST
Inp	503.91		NIST
Tboil	780.07	K	Relay (1.0) Calculated Property
Tc	1115.23	K	Relay (1.0) Calculated Property
Tfus	451.26	K	Relay (1.0) Calculated Property
Vc	0.861	m3/kmol	Relay (1.0) Calculated Property

Similar Compounds

Find more compounds similar to Dibenzo[drf,mno]chrysene, 2,3-dihydro.

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
• McGowan Method
• NIST Webbook

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