Chemical Properties of «alpha»-Barbatenal

InChI

InChI=1S/C16H24/c1-5-12-7-10-14(2)11-13(12)15(3)8-6-9-16(14,15)4/h5,7,13H,1,6,8-11H2,2-4H3/t13-,14-,15+,16-/m0/s1

InChI Key

OGCDVJZYJHNLRC-JONQDZQNSA-N

Formula

C16H24

SMILES

C=CC1=CCC2(C)CC1C1(C)CCCC21C

Molecular Weight¹

216.36

• 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°	325.88	kJ/mol	Joback Calculated Property
ΔfH°gas	29.63	kJ/mol	Joback Calculated Property
ΔfusH°	9.13	kJ/mol	Joback Calculated Property
ΔvapH°	47.81	kJ/mol	Joback Calculated Property
log10WS	-4.94		Crippen Calculated Property
logPoct/wat	4.725		Crippen Calculated Property
McVol	195.120	ml/mol	McGowan Calculated Property
Pc	2165.35	kPa	Joback Calculated Property
Inp	[1707.00; 1707.00]
Inp	1707.00		NIST
Inp	1707.00		NIST
Tboil	591.11	K	Joback Calculated Property
Tc	826.45	K	Joback Calculated Property
Tfus	395.84	K	Joback Calculated Property
Vc	0.747	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[532.38; 651.64]	J/mol×K	[591.11; 826.45]
Cp,gas	532.38	J/mol×K	591.11	Joback Calculated Property
Cp,gas	554.40	J/mol×K	630.33	Joback Calculated Property
Cp,gas	574.95	J/mol×K	669.56	Joback Calculated Property
Cp,gas	594.48	J/mol×K	708.78	Joback Calculated Property
Cp,gas	613.47	J/mol×K	748.01	Joback Calculated Property
Cp,gas	632.36	J/mol×K	787.23	Joback Calculated Property
Cp,gas	651.64	J/mol×K	826.45	Joback Calculated Property

Similar Compounds

Find more compounds similar to «alpha»-Barbatenal.

Sources

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

Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more. Take the time to validate and double check the source of the data.