Chemical Properties of petasitene (CAS 443124-67-2)

InChI

InChI=1S/C15H24/c1-10(2)13-7-8-14(3)11-5-6-12(9-11)15(13,14)4/h7,10-12H,5-6,8-9H2,1-4H3

InChI Key

ZGKPBXWQOYDEMA-UHFFFAOYSA-N

Formula

C15H24

SMILES

CC(C)C1=CCC2(C)C3CCC(C3)C12C

Molecular Weight¹

204.35

CAS

443124-67-2

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• 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°	244.77	kJ/mol	Joback Calculated Property
ΔfH°gas	-89.52	kJ/mol	Joback Calculated Property
ΔfusH°	12.70	kJ/mol	Joback Calculated Property
ΔvapH°	46.85	kJ/mol	Joback Calculated Property
log10WS	-4.43		Crippen Calculated Property
logPoct/wat	4.415		Crippen Calculated Property
McVol	185.330	ml/mol	McGowan Calculated Property
Pc	2149.31	kPa	Joback Calculated Property
Inp	[1385.00; 1404.60]
Inp	1400.00		NIST
Inp	1385.00		NIST
Inp	1400.00		NIST
Inp	1404.60		NIST
Tboil	566.60	K	Joback Calculated Property
Tc	789.18	K	Joback Calculated Property
Tfus	350.95	K	Joback Calculated Property
Vc	0.714	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[501.59; 615.88]	J/mol×K	[566.60; 789.18]
Cp,gas	501.59	J/mol×K	566.60	Joback Calculated Property
Cp,gas	523.50	J/mol×K	603.70	Joback Calculated Property
Cp,gas	543.86	J/mol×K	640.79	Joback Calculated Property
Cp,gas	562.98	J/mol×K	677.89	Joback Calculated Property
Cp,gas	581.15	J/mol×K	714.99	Joback Calculated Property
Cp,gas	598.68	J/mol×K	752.08	Joback Calculated Property
Cp,gas	615.88	J/mol×K	789.18	Joback Calculated Property

Similar Compounds

Find more compounds similar to petasitene.

Sources

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

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