Chemical Properties of Perhydropyrene, # 4 (CAS 16291-77-3)

InChI

InChI=1S/C16H26/c1-3-11-7-9-13-5-2-6-14-10-8-12(4-1)15(11)16(13)14/h11-16H,1-10H2

InChI Key

BYBPEZLZCGOWIS-UHFFFAOYSA-N

Formula

C16H26

SMILES

C1CC2CCC3CCCC4CCC(C1)C2C34

Molecular Weight¹

218.38

CAS

16291-77-3

Other Names

• Perhydropyrene, # 5
• Perhydropyrene, # 6
• Perhydropyrene, # 7
• Perhydropyrene, # 1
• Perhydropyrene, # 2
• Perhydropyrene, # 3
• Perhydropyrene, # 8
• Perhydropyrene, # 9
• Perhydropyrene

• 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
ΔfG°	263.02	kJ/mol	Joback Calculated Property
ΔfH°gas	-147.69	kJ/mol	Joback Calculated Property
ΔfusH°	23.48	kJ/mol	Joback Calculated Property
ΔvapH°	50.93	kJ/mol	Joback Calculated Property
IE	8.70	eV	NIST
log10WS	-4.65		Crippen Calculated Property
logPoct/wat	4.639		Crippen Calculated Property
McVol	192.860	ml/mol	McGowan Calculated Property
Pc	2066.12	kPa	Joback Calculated Property
Inp	[1750.00; 1800.00]
Inp	1768.00		NIST
Inp	1767.00		NIST
Inp	1800.00		NIST
Inp	1800.00		NIST
Inp	1750.00		NIST
Tboil	600.18	K	Joback Calculated Property
Tc	832.27	K	Joback Calculated Property
Tfus	319.28	K	Joback Calculated Property
Vc	0.726	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[571.83; 712.88]	J/mol×K	[600.18; 832.27]
Cp,gas	571.83	J/mol×K	600.18	Joback Calculated Property
Cp,gas	599.84	J/mol×K	638.86	Joback Calculated Property
Cp,gas	625.86	J/mol×K	677.54	Joback Calculated Property
Cp,gas	650.04	J/mol×K	716.22	Joback Calculated Property
Cp,gas	672.51	J/mol×K	754.90	Joback Calculated Property
Cp,gas	693.41	J/mol×K	793.58	Joback Calculated Property
Cp,gas	712.88	J/mol×K	832.27	Joback Calculated Property
η	[0.0022349; 0.0026326]	Pa×s	[319.28; 600.18]
η	0.0026326	Pa×s	319.28	Joback Calculated Property
η	0.0025174	Pa×s	366.10	Joback Calculated Property
η	0.0024318	Pa×s	412.91	Joback Calculated Property
η	0.0023657	Pa×s	459.73	Joback Calculated Property
η	0.0023131	Pa×s	506.55	Joback Calculated Property
η	0.0022704	Pa×s	553.36	Joback Calculated Property
η	0.0022349	Pa×s	600.18	Joback Calculated Property

Similar Compounds

Find more compounds similar to Perhydropyrene, # 4.

Sources

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

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