Chemical Properties of (2S,6R,7S,8E)-(+)-2,7-Epoxy-4,8-megastigmadiene (CAS 108342-25-2)

InChI

InChI=1S/C13H20O/c1-5-6-10-12-9(2)7-8-11(14-10)13(12,3)4/h5-7,10-12H,8H2,1-4H3/b6-5+

InChI Key

DUQZZCOYQGZPEG-AATRIKPKSA-N

Formula

C13H20O

SMILES

CC=CC1OC2CC=C(C)C1C2(C)C

Molecular Weight¹

192.30

CAS

108342-25-2

Other Names

• 2,7-Epoxy-megastigma-4,8-diene

• 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°	149.40	kJ/mol	Joback Calculated Property
ΔfH°gas	-172.28	kJ/mol	Joback Calculated Property
ΔfusH°	26.35	kJ/mol	Joback Calculated Property
ΔvapH°	48.36	kJ/mol	Joback Calculated Property
log10WS	-3.59		Crippen Calculated Property
logPoct/wat	3.322		Crippen Calculated Property
McVol	169.580	ml/mol	McGowan Calculated Property
Pc	2239.76	kPa	Joback Calculated Property
I	[2187.00; 2187.00]
I	2187.00		NIST
I	2187.00		NIST
Tboil	545.01	K	Joback Calculated Property
Tc	760.98	K	Joback Calculated Property
Tfus	315.30	K	Joback Calculated Property
Vc	0.644	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[432.31; 535.32]	J/mol×K	[545.01; 760.98]
Cp,gas	432.31	J/mol×K	545.01	Joback Calculated Property
Cp,gas	452.20	J/mol×K	581.01	Joback Calculated Property
Cp,gas	470.80	J/mol×K	617.00	Joback Calculated Property
Cp,gas	488.26	J/mol×K	653.00	Joback Calculated Property
Cp,gas	504.73	J/mol×K	688.99	Joback Calculated Property
Cp,gas	520.37	J/mol×K	724.99	Joback Calculated Property
Cp,gas	535.32	J/mol×K	760.98	Joback Calculated Property

Similar Compounds

Find more compounds similar to (2S,6R,7S,8E)-(+)-2,7-Epoxy-4,8-megastigmadiene.

Sources

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

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