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

• 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).
• 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).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔfH°gas	414.46	kJ/mol	Relay (1.0) Calculated Property
ΔvapH°	124.12	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
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	1115.87	K	Relay (1.0) Calculated Property
Tfus	447.58	K	Relay (1.0) Calculated Property

Cheméo can also estimate Critical Pressure, Critical Volume, Standard Gibbs free energy of formation, Acentric Factor 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.

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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