Chemical Properties of «gamma»-Gurjunene epoxide

InChI

InChI=1S/C15H26O/c1-9(2)12-7-5-10(3)13-8-6-11(4)15(13)14(12)16-15/h9-14H,5-8H2,1-4H3/t10-,11-,12+,13-,14?,15?/m0/s1

InChI Key

YWPRRALOHVWEQD-MNTSOTEJSA-N

Formula

C15H26O

SMILES

CC(C)C1CCC(C)C2CCC(C)C23OC13

Molecular Weight¹

222.37

• 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°	116.29	kJ/mol	Joback Calculated Property
ΔfH°gas	-329.91	kJ/mol	Joback Calculated Property
ΔfusH°	26.18	kJ/mol	Joback Calculated Property
ΔvapH°	51.11	kJ/mol	Joback Calculated Property
log10WS	-3.89		Crippen Calculated Property
logPoct/wat	3.872		Crippen Calculated Property
McVol	195.500	ml/mol	McGowan Calculated Property
Pc	1935.54	kPa	Joback Calculated Property
Inp	[1542.00; 1542.00]
Inp	1542.00		NIST
Inp	1542.00		NIST
Inp	1542.00		NIST
Tboil	584.10	K	Joback Calculated Property
Tc	800.18	K	Joback Calculated Property
Tfus	328.34	K	Joback Calculated Property
Vc	0.741	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[561.45; 688.05]	J/mol×K	[584.10; 800.18]
Cp,gas	561.45	J/mol×K	584.10	Joback Calculated Property
Cp,gas	585.76	J/mol×K	620.11	Joback Calculated Property
Cp,gas	608.55	J/mol×K	656.13	Joback Calculated Property
Cp,gas	630.00	J/mol×K	692.14	Joback Calculated Property
Cp,gas	650.29	J/mol×K	728.16	Joback Calculated Property
Cp,gas	669.59	J/mol×K	764.17	Joback Calculated Property
Cp,gas	688.05	J/mol×K	800.18	Joback Calculated Property

Similar Compounds

Find more compounds similar to «gamma»-Gurjunene epoxide.

Sources

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

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