Chemical Properties of Pyrene, 4,5,9,10-tetrahydro- (CAS 781-17-9)

InChI

InChI=1S/C16H14/c1-3-11-7-9-13-5-2-6-14-10-8-12(4-1)15(11)16(13)14/h1-6H,7-10H2

InChI Key

XDFUNRTWHPWCKO-UHFFFAOYSA-N

Formula

C16H14

SMILES

c1cc2c3c(c1)CCc1cccc(c1-3)CC2

Molecular Weight¹

206.28

CAS

781-17-9

Other Names

• 4,5,9,10-Tetrahydropyrene

• Δ_cH°_solid : Standard solid enthalpy of combustion (kJ/mol).
• C_p,gas : Ideal gas heat capacity (J/mol×K).
• C_p,solid : Solid phase 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_fH°_solid : Solid phase enthalpy of formation at standard conditions (kJ/mol).
• Δ_fusH° : Enthalpy of fusion at standard conditions (kJ/mol).
• Δ_fusH : Enthalpy of fusion at a given temperature (kJ/mol).
• Δ_subH° : Enthalpy of sublimation at standard conditions (kJ/mol).
• Δ_subH : Enthalpy of sublimation at a given temperature (kJ/mol).
• Δ_vapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
• Δ_vapH : Enthalpy of vaporization at a given temperature (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.
• S°_{solid,1 bar} : Solid phase molar entropy at standard conditions (J/mol×K).
• T_boil : Normal Boiling Point Temperature (K).
• T_c : Critical Temperature (K).
• T_fus : Normal melting (fusion) point (K).
• T_triple : Triple Point Temperature (K).
• V_c : Critical Volume (m³/kmol).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔcH°solid	-8322.20 ± 1.20	kJ/mol	NIST
ΔfG°	431.26	kJ/mol	Joback Calculated Property
ΔfH°gas	90.20 ± 1.40	kJ/mol	NIST
ΔfH°solid	25.20 ± 1.50	kJ/mol	NIST
ΔfusH°	22.05	kJ/mol	Joback Calculated Property
ΔsubH°	65.00	kJ/mol	NIST
ΔvapH°	58.51	kJ/mol	Joback Calculated Property
log10WS	-5.40		Crippen Calculated Property
logPoct/wat	3.551		Crippen Calculated Property
McVol	167.060	ml/mol	McGowan Calculated Property
Pc	2841.41	kPa	Joback Calculated Property
Inp	[325.70; 329.69]
Inp	325.70		NIST
Inp	325.70		NIST
Inp	328.26		NIST
Inp	329.69		NIST
Inp	329.11		NIST
Inp	328.95		NIST
Inp	329.69		NIST
S°solid,1 bar	247.77	J/mol×K	NIST
Tboil	653.04	K	Joback Calculated Property
Tc	904.17	K	Joback Calculated Property
Tfus	424.40	K	Joback Calculated Property
Ttriple	412.72 ± 0.01	K	NIST
Vc	0.647	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[432.58; 512.52]	J/mol×K	[653.04; 904.17]
Cp,gas	432.58	J/mol×K	653.04	Joback Calculated Property
Cp,gas	448.37	J/mol×K	694.90	Joback Calculated Property
Cp,gas	462.92	J/mol×K	736.75	Joback Calculated Property
Cp,gas	476.41	J/mol×K	778.61	Joback Calculated Property
Cp,gas	489.04	J/mol×K	820.46	Joback Calculated Property
Cp,gas	501.01	J/mol×K	862.32	Joback Calculated Property
Cp,gas	512.52	J/mol×K	904.17	Joback Calculated Property
Cp,solid	257.12	J/mol×K	298.15	NIST
η	[0.0012203; 0.0022024]	Pa×s	[424.40; 653.04]
η	0.0022024	Pa×s	424.40	Joback Calculated Property
η	0.0019167	Pa×s	462.51	Joback Calculated Property
η	0.0017037	Pa×s	500.61	Joback Calculated Property
η	0.0015398	Pa×s	538.72	Joback Calculated Property
η	0.0014104	Pa×s	576.83	Joback Calculated Property
η	0.0013060	Pa×s	614.93	Joback Calculated Property
η	0.0012203	Pa×s	653.04	Joback Calculated Property
ΔfusH	17.09	kJ/mol	412.80	NIST
ΔsubH	90.40	kJ/mol	397.50	NIST
ΔvapH	[56.40; 70.90]	kJ/mol	[440.00; 640.00]
ΔvapH	70.90	kJ/mol	440.00	NIST
ΔvapH	68.10	kJ/mol	480.00	NIST
ΔvapH	65.30	kJ/mol	520.00	NIST
ΔvapH	62.50	kJ/mol	560.00	NIST
ΔvapH	59.50	kJ/mol	600.00	NIST
ΔvapH	56.40	kJ/mol	640.00	NIST

Similar Compounds

Find more compounds similar to Pyrene, 4,5,9,10-tetrahydro-.

Sources

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

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