Chemical Properties of (-)-5,11-epoxy-4 «alpha»,5 «beta»,10 «alpha»-eudesm-1-ene

InChI

InChI=1S/C15H24O/c1-11-6-5-8-14(4)9-7-12-10-15(11,14)16-13(12,2)3/h5,8,11-12H,6-7,9-10H2,1-4H3/t11-,12?,14+,15+/m0/s1

InChI Key

ZYBUFGLEPYWGTL-HAOUFUCWSA-N

Formula

C15H24O

SMILES

CC1CC=CC2(C)CCC3CC12OC3(C)C

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 : 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°	133.32	kJ/mol	Joback Calculated Property
ΔfH°gas	-222.19	kJ/mol	Joback Calculated Property
ΔfusH°	15.16	kJ/mol	Joback Calculated Property
ΔvapH°	49.97	kJ/mol	Joback Calculated Property
log10WS	-4.23		Crippen Calculated Property
logPoct/wat	3.936		Crippen Calculated Property
McVol	191.200	ml/mol	McGowan Calculated Property
Pc	2274.07	kPa	Joback Calculated Property
I	[1916.00; 1916.00]
I	1916.00		NIST
I	1916.00		NIST
Tboil	593.12	K	Joback Calculated Property
Tc	832.40	K	Joback Calculated Property
Tfus	392.62	K	Joback Calculated Property
Vc	0.722	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[538.37; 663.14]	J/mol×K	[593.12; 832.40]
Cp,gas	538.37	J/mol×K	593.12	Joback Calculated Property
Cp,gas	561.44	J/mol×K	633.00	Joback Calculated Property
Cp,gas	582.99	J/mol×K	672.88	Joback Calculated Property
Cp,gas	603.47	J/mol×K	712.76	Joback Calculated Property
Cp,gas	623.35	J/mol×K	752.64	Joback Calculated Property
Cp,gas	643.09	J/mol×K	792.52	Joback Calculated Property
Cp,gas	663.14	J/mol×K	832.40	Joback Calculated Property

Similar Compounds

Find more compounds similar to (-)-5,11-epoxy-4 «alpha»,5 «beta»,10 «alpha»-eudesm-1-ene.

Sources

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

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