Chemical Properties of Pyrene, 4,5-dihydro- (CAS 6628-98-4)

InChI

InChI=1S/C16H12/c1-3-11-7-9-13-5-2-6-14-10-8-12(4-1)15(11)16(13)14/h1-7,9H,8,10H2

InChI Key

WPCIUCNVWJNRCD-UHFFFAOYSA-N

Formula

C16H12

SMILES

c1cc2c3c(c1)ccc1cccc(c13)CC2

Molecular Weight¹

204.27

CAS

6628-98-4

Other Names

• 4,5-Dihydropyrene
• 4,5-Ethanophenanthrene

• 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°	461.22	kJ/mol	Joback Calculated Property
ΔfH°gas	309.99	kJ/mol	Joback Calculated Property
ΔfusH°	23.27	kJ/mol	Joback Calculated Property
ΔvapH°	58.80	kJ/mol	Joback Calculated Property
log10WS	-5.74		Crippen Calculated Property
logPoct/wat	4.092		Crippen Calculated Property
McVol	162.760	ml/mol	McGowan Calculated Property
Pc	2953.69	kPa	Joback Calculated Property
Inp	[327.10; 2094.40]
Inp	2059.70		NIST
Inp	2094.40		NIST
Inp	2070.00		NIST
Inp	327.10		NIST
Inp	342.18		NIST
Inp	330.01		NIST
Inp	330.01		NIST
Inp	327.10		NIST
Inp	2070.00		NIST
Tboil	652.20	K	Joback Calculated Property
Tc	905.80	K	Joback Calculated Property
Tfus	425.16	K	Joback Calculated Property
Vc	0.633	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[410.09; 483.57]	J/mol×K	[652.20; 905.80]
Cp,gas	410.09	J/mol×K	652.20	Joback Calculated Property
Cp,gas	424.65	J/mol×K	694.47	Joback Calculated Property
Cp,gas	438.02	J/mol×K	736.73	Joback Calculated Property
Cp,gas	450.39	J/mol×K	779.00	Joback Calculated Property
Cp,gas	461.97	J/mol×K	821.27	Joback Calculated Property
Cp,gas	472.96	J/mol×K	863.54	Joback Calculated Property
Cp,gas	483.57	J/mol×K	905.80	Joback Calculated Property
η	[0.0012660; 0.0021032]	Pa×s	[425.16; 652.20]
η	0.0021032	Pa×s	425.16	Joback Calculated Property
η	0.0018669	Pa×s	463.00	Joback Calculated Property
η	0.0016873	Pa×s	500.84	Joback Calculated Property
η	0.0015468	Pa×s	538.68	Joback Calculated Property
η	0.0014342	Pa×s	576.52	Joback Calculated Property
η	0.0013423	Pa×s	614.36	Joback Calculated Property
η	0.0012660	Pa×s	652.20	Joback Calculated Property

Similar Compounds

Find more compounds similar to Pyrene, 4,5-dihydro-.

Sources

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

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