Chemical Properties of Pethybrene

InChI

InChI=1S/C15H24/c1-11-6-9-13(3)10-12(2)14(4)7-5-8-15(11,13)14/h11H,2,5-10H2,1,3-4H3/t11-,13+,14+,15+/m0/s1

InChI Key

BPSJFUIWVOWJNO-ZGKBOVNRSA-N

Formula

C15H24

SMILES

C=C1CC2(C)CCC(C)C23CCCC13C

Molecular Weight¹

204.35

• 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.
• I : 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°	262.37	kJ/mol	Joback Calculated Property
ΔfH°gas	-37.23	kJ/mol	Joback Calculated Property
ΔfusH°	5.83	kJ/mol	Joback Calculated Property
ΔvapH°	45.46	kJ/mol	Joback Calculated Property
log10WS	-4.67		Crippen Calculated Property
logPoct/wat	4.559		Crippen Calculated Property
McVol	185.330	ml/mol	McGowan Calculated Property
Pc	2274.07	kPa	Joback Calculated Property
Inp	[1362.00; 1377.00]
Inp	1377.00		NIST
Inp	1362.00		NIST
Inp	1371.00		NIST
Inp	1377.00		NIST
Inp	1377.00		NIST
I	[1512.00; 1512.00]
I	1512.00		NIST
I	1512.00		NIST
Tboil	566.57	K	Joback Calculated Property
Tc	800.20	K	Joback Calculated Property
Tfus	386.73	K	Joback Calculated Property
Vc	0.708	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[500.14; 619.44]	J/mol×K	[566.57; 800.20]
Cp,gas	500.14	J/mol×K	566.57	Joback Calculated Property
Cp,gas	522.76	J/mol×K	605.51	Joback Calculated Property
Cp,gas	543.69	J/mol×K	644.45	Joback Calculated Property
Cp,gas	563.39	J/mol×K	683.38	Joback Calculated Property
Cp,gas	582.28	J/mol×K	722.32	Joback Calculated Property
Cp,gas	600.82	J/mol×K	761.26	Joback Calculated Property
Cp,gas	619.44	J/mol×K	800.20	Joback Calculated Property

Similar Compounds

Find more compounds similar to Pethybrene.

Sources

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

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