Chemical Properties of 6,7;7,10-Bisepoxy-6,7-seco-calamenene

InChI

InChI=1S/C15H20O2/c1-10(2)15-8-7-14(4,17-15)12-6-5-11(3)9-13(12)16-15/h5-6,9-10H,7-8H2,1-4H3

InChI Key

ZOYQOKPXTQBYKL-UHFFFAOYSA-N

Formula

C15H20O2

SMILES

Cc1ccc2c(c1)OC1(C(C)C)CCC2(C)O1

Molecular Weight¹

232.32

Other Names

• 6,7-Bisepoxy-sec-calamenene

• 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°	104.41	kJ/mol	Joback Calculated Property
ΔfH°gas	-232.54	kJ/mol	Joback Calculated Property
ΔfusH°	23.98	kJ/mol	Joback Calculated Property
ΔvapH°	58.74	kJ/mol	Joback Calculated Property
log10WS	-4.37		Crippen Calculated Property
logPoct/wat	3.765		Crippen Calculated Property
McVol	188.470	ml/mol	McGowan Calculated Property
Pc	2458.04	kPa	Joback Calculated Property
Inp	[1580.00; 1588.00]
Inp	1580.00		NIST
Inp	1588.00		NIST
Inp	1588.00		NIST
Inp	1580.00		NIST
I	[2049.00; 2109.00]
I	2109.00		NIST
I	2049.00		NIST
I	2109.00		NIST
I	2049.00		NIST
Tboil	646.66	K	Joback Calculated Property
Tc	885.53	K	Joback Calculated Property
Tfus	432.09	K	Joback Calculated Property
Vc	0.714	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[526.22; 627.40]	J/mol×K	[646.66; 885.53]
Cp,gas	526.22	J/mol×K	646.66	Joback Calculated Property
Cp,gas	544.11	J/mol×K	686.47	Joback Calculated Property
Cp,gas	561.13	J/mol×K	726.28	Joback Calculated Property
Cp,gas	577.62	J/mol×K	766.09	Joback Calculated Property
Cp,gas	593.93	J/mol×K	805.91	Joback Calculated Property
Cp,gas	610.41	J/mol×K	845.72	Joback Calculated Property
Cp,gas	627.40	J/mol×K	885.53	Joback Calculated Property

Similar Compounds

Find more compounds similar to 6,7;7,10-Bisepoxy-6,7-seco-calamenene.

Sources

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

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