Chemical Properties of 11H-Indeno[2,1,7-cde]pyrene (CAS 59004-71-6)

InChI

InChI=1S/C21H12/c1-3-12-7-8-13-9-10-15-11-14-4-2-6-17-16(5-1)18(12)20(13)21(15)19(14)17/h1-10H,11H2

InChI Key

IRMHVODPYNKKAP-UHFFFAOYSA-N

Formula

C21H12

SMILES

c1cc2c3c(c1)c1cccc4ccc5ccc(c3c5c41)C2

Molecular Weight¹

264.32

CAS

59004-71-6

• 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).
• 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°	703.70	kJ/mol	Joback Calculated Property
ΔfH°gas	526.69	kJ/mol	Joback Calculated Property
ΔfusH°	34.56	kJ/mol	Joback Calculated Property
ΔvapH°	73.73	kJ/mol	Joback Calculated Property
log10WS	-8.45		Crippen Calculated Property
logPoct/wat	5.641		Crippen Calculated Property
McVol	198.590	ml/mol	McGowan Calculated Property
Pc	2574.11	kPa	Joback Calculated Property
Inp	[474.21; 474.21]
Inp	474.21		NIST
Inp	474.21		NIST
Tboil	802.55	K	Joback Calculated Property
Tc	1062.21	K	Joback Calculated Property
Tfus	581.75	K	Joback Calculated Property
Vc	0.795	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[543.75; 624.92]	J/mol×K	[802.55; 1062.21]
Cp,gas	543.75	J/mol×K	802.55	Joback Calculated Property
Cp,gas	556.52	J/mol×K	845.83	Joback Calculated Property
Cp,gas	569.14	J/mol×K	889.10	Joback Calculated Property
Cp,gas	581.94	J/mol×K	932.38	Joback Calculated Property
Cp,gas	595.27	J/mol×K	975.65	Joback Calculated Property
Cp,gas	609.49	J/mol×K	1018.93	Joback Calculated Property
Cp,gas	624.92	J/mol×K	1062.21	Joback Calculated Property
η	[0.0102272; 0.0109853]	Pa×s	[581.75; 802.55]
η	0.0102272	Pa×s	581.75	Joback Calculated Property
η	0.0103866	Pa×s	618.55	Joback Calculated Property
η	0.0105301	Pa×s	655.35	Joback Calculated Property
η	0.0106601	Pa×s	692.15	Joback Calculated Property
η	0.0107783	Pa×s	728.95	Joback Calculated Property
η	0.0108863	Pa×s	765.75	Joback Calculated Property
η	0.0109853	Pa×s	802.55	Joback Calculated Property

Similar Compounds

Find more compounds similar to 11H-Indeno[2,1,7-cde]pyrene.

Sources

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

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