Chemical Properties of coronene-d12

InChI

InChI=1S/C24H12/c1-2-14-5-6-16-9-11-18-12-10-17-8-7-15-4-3-13(1)19-20(14)22(16)24(18)23(17)21(15)19/h1-12H/i1D,2D,3D,4D,5D,6D,7D,8D,9D,10D,11D,12D

InChI Key

VPUGDVKSAQVFFS-AQZSQYOVSA-N

Formula

C24D12

SMILES

c1cc2ccc3ccc4ccc5ccc6ccc1c1c2c3c4c5c61

Molecular Weight¹

312.43

• ω : Acentric Factor.
• 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).
• 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	0.7388		Relay (... Calculated Property
ΔfG°	838.08	kJ/mol	Joback Calculated Property
ΔfH°gas	440.44	kJ/mol	Relay (... Calculated Property
ΔfusH°	41.06	kJ/mol	Joback Calculated Property
ΔvapH°	146.46	kJ/mol	Relay (... Calculated Property
IE	7.49	eV	Relay (... Calculated Property
log10WS	-9.30		Relay (... Calculated Property
logPoct/wat	6.919		Crippen Calculated Property
McVol	221.400	ml/mol	McGowan Calculated Property
Pc	2370.28	kPa	Joback Calculated Property
Inp	[549.71; 549.71]
Inp	549.71		NIST
Inp	549.71		NIST
Tboil	826.05	K	Relay (... Calculated Property
Tc	1203.66	K	Relay (... Calculated Property
Tfus	675.65	K	Relay (... Calculated Property
Vc	0.931	m3/kmol	Relay (... Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[625.52; 731.08]	J/mol×K	[890.88; 1154.51]
Cp,gas	625.52	J/mol×K	890.88	Joback Calculated Property
Cp,gas	639.68	J/mol×K	934.82	Joback Calculated Property
Cp,gas	654.66	J/mol×K	978.76	Joback Calculated Property
Cp,gas	670.86	J/mol×K	1022.70	Joback Calculated Property
Cp,gas	688.72	J/mol×K	1066.64	Joback Calculated Property
Cp,gas	708.65	J/mol×K	1110.57	Joback Calculated Property
Cp,gas	731.08	J/mol×K	1154.51	Joback Calculated Property
η	[0.0266312; 0.0314079]	Pa×s	[664.30; 890.88]
η	0.0266312	Pa×s	664.30	Joback Calculated Property
η	0.0275768	Pa×s	702.06	Joback Calculated Property
η	0.0284544	Pa×s	739.83	Joback Calculated Property
η	0.0292708	Pa×s	777.59	Joback Calculated Property
η	0.0300317	Pa×s	815.35	Joback Calculated Property
η	0.0307426	Pa×s	853.12	Joback Calculated Property
η	0.0314079	Pa×s	890.88	Joback Calculated Property

Similar Compounds

Find more compounds similar to coronene-d12.

Sources

• Cheméo Relay (1.0)
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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