Chemical Properties of Humulene epoxide II

InChI

InChI=1S/C15H24O/c1-12-7-5-9-14(2,3)11-13-15(4,16-13)10-6-8-12/h5,8-9,13H,6-7,10-11H2,1-4H3/b9-5+,12-8+/t13-,15-/m1/s1

InChI Key

RKQDKXOBRXTSFS-UOAUIWSESA-N

Formula

C15H24O

SMILES

CC1=CCCC2(C)OC2CC(C)(C)C=CC1

Molecular Weight¹

220.35

• 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°	69.80	kJ/mol	Joback Calculated Property
ΔfH°gas	-262.06	kJ/mol	Joback Calculated Property
ΔfusH°	16.79	kJ/mol	Joback Calculated Property
ΔvapH°	52.99	kJ/mol	Joback Calculated Property
log10WS	-4.67		Crippen Calculated Property
logPoct/wat	4.247		Crippen Calculated Property
McVol	197.760	ml/mol	McGowan Calculated Property
Pc	2177.49	kPa	Joback Calculated Property
Inp	[1601.00; 1620.00]
Inp	1605.00		NIST
Inp	1614.00		NIST
Inp	1608.00		NIST
Inp	1619.00		NIST
Inp	1605.00		NIST
Inp	1619.00		NIST
Inp	1614.00		NIST
Inp	1606.00		NIST
Inp	1608.00		NIST
Inp	1601.00		NIST
Inp	1608.00		NIST
Inp	1611.00		NIST
Inp	Outlier 1620.00		NIST
Inp	1607.00		NIST
Inp	1609.00		NIST
Inp	1601.00		NIST
Inp	1609.00		NIST
Inp	1608.00		NIST
Inp	1608.00		NIST
Inp	1605.00		NIST
Inp	1608.00		NIST
Inp	1607.00		NIST
Inp	1608.00		NIST
I	[2002.00; 2071.00]
I	2045.00		NIST
I	2071.00		NIST
I	2002.00		NIST
I	2071.00		NIST
I	2011.00		NIST
Tboil	607.76	K	Joback Calculated Property
Tc	848.30	K	Joback Calculated Property
Tfus	357.74	K	Joback Calculated Property
Vc	0.730	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[538.18; 663.49]	J/mol×K	[607.76; 848.30]
Cp,gas	538.18	J/mol×K	607.76	Joback Calculated Property
Cp,gas	561.67	J/mol×K	647.85	Joback Calculated Property
Cp,gas	583.74	J/mol×K	687.94	Joback Calculated Property
Cp,gas	604.67	J/mol×K	728.03	Joback Calculated Property
Cp,gas	624.76	J/mol×K	768.12	Joback Calculated Property
Cp,gas	644.27	J/mol×K	808.21	Joback Calculated Property
Cp,gas	663.49	J/mol×K	848.30	Joback Calculated Property

Similar Compounds

Find more compounds similar to Humulene epoxide II.

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.
Outlier This icon means that the value is more than 2 standard deviations away from the property mean.