Chemical Properties of (+)-(1R,5S,6R,9R,10R)-5,9-Epoxyamorpha-3,7(11)-diene

InChI

InChI=1S/C15H22O/c1-8(2)12-7-13-10(4)11-6-5-9(3)15(16-13)14(11)12/h5,10-11,13-15H,6-7H2,1-4H3/t10-,11-,13+,14-,15+/m1/s1

InChI Key

BQMNCSAUWHVXSY-NXRJPMIISA-N

Formula

C15H22O

SMILES

CC1=CCC2C(C)C3CC(=C(C)C)C2C1O3

Molecular Weight¹

218.33

• 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°	189.17	kJ/mol	Joback Calculated Property
ΔfH°gas	-206.98	kJ/mol	Joback Calculated Property
ΔfusH°	34.78	kJ/mol	Joback Calculated Property
ΔvapH°	54.78	kJ/mol	Joback Calculated Property
log10WS	-4.08		Crippen Calculated Property
logPoct/wat	3.712		Crippen Calculated Property
McVol	186.900	ml/mol	McGowan Calculated Property
Pc	1996.55	kPa	Joback Calculated Property
Inp	[1595.00; 1595.00]
Inp	1595.00		NIST
Inp	1595.00		NIST
Tboil	599.63	K	Joback Calculated Property
Tc	816.32	K	Joback Calculated Property
Tfus	333.36	K	Joback Calculated Property
Vc	0.720	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[522.85; 632.68]	J/mol×K	[599.63; 816.32]
Cp,gas	522.85	J/mol×K	599.63	Joback Calculated Property
Cp,gas	544.19	J/mol×K	635.75	Joback Calculated Property
Cp,gas	564.19	J/mol×K	671.86	Joback Calculated Property
Cp,gas	582.95	J/mol×K	707.98	Joback Calculated Property
Cp,gas	600.56	J/mol×K	744.09	Joback Calculated Property
Cp,gas	617.10	J/mol×K	780.21	Joback Calculated Property
Cp,gas	632.68	J/mol×K	816.32	Joback Calculated Property

Similar Compounds

Find more compounds similar to (+)-(1R,5S,6R,9R,10R)-5,9-Epoxyamorpha-3,7(11)-diene.

Sources

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

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