Chemical Properties of Hexahydrogermacrone-b

InChI

InChI=1S/C15H28O/c1-11(2)14-9-8-12(3)6-5-7-13(4)10-15(14)16/h11-14H,5-10H2,1-4H3

InChI Key

IVZVLIBJTFLRJR-UHFFFAOYSA-N

Formula

C15H28O

SMILES

CC1CCCC(C)CC(=O)C(C(C)C)CC1

Molecular Weight¹

224.38

• 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°	-88.98	kJ/mol	Joback Calculated Property
ΔfH°gas	-506.91	kJ/mol	Joback Calculated Property
ΔfusH°	16.17	kJ/mol	Joback Calculated Property
ΔvapH°	53.34	kJ/mol	Joback Calculated Property
log10WS	-4.31		Crippen Calculated Property
logPoct/wat	4.454		Crippen Calculated Property
McVol	212.920	ml/mol	McGowan Calculated Property
Pc	1771.36	kPa	Joback Calculated Property
Inp	[1590.00; 1590.00]
Inp	1590.00		NIST
Inp	1590.00		NIST
I	[1938.00; 1938.00]
I	1938.00		NIST
I	1938.00		NIST
Tboil	637.27	K	Joback Calculated Property
Tc	866.15	K	Joback Calculated Property
Tfus	296.85	K	Joback Calculated Property
Vc	0.775	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[610.85; 748.10]	J/mol×K	[637.27; 866.15]
Cp,gas	610.85	J/mol×K	637.27	Joback Calculated Property
Cp,gas	637.95	J/mol×K	675.42	Joback Calculated Property
Cp,gas	663.42	J/mol×K	713.56	Joback Calculated Property
Cp,gas	687.20	J/mol×K	751.71	Joback Calculated Property
Cp,gas	709.27	J/mol×K	789.86	Joback Calculated Property
Cp,gas	729.58	J/mol×K	828.00	Joback Calculated Property
Cp,gas	748.10	J/mol×K	866.15	Joback Calculated Property

Similar Compounds

Find more compounds similar to Hexahydrogermacrone-b.

Sources

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

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