Chemical Properties of 6,12-Epoxyelema-1,3-diene

InChI

InChI=1S/C15H24O/c1-6-15(5)8-7-12-11(4)9-16-14(12)13(15)10(2)3/h6,11-14H,1-2,7-9H2,3-5H3/t11-,12+,13-,14+,15-/m0/s1

InChI Key

WHGDEUFMJMWQGK-ZQNQSHIBSA-N

Formula

C15H24O

SMILES

C=CC1(C)CCC2C(C)COC2C1C(=C)C

Molecular Weight¹

220.35

• ω : Acentric Factor.
• 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).
• IE : Ionization energy (eV).
• 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
ω	0.3436		Relay (1.0) Calculated Property
ΔfG°	213.01	kJ/mol	Joback Calculated Property
ΔfH°gas	-168.21	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	25.60	kJ/mol	Joback Calculated Property
ΔvapH°	66.93	kJ/mol	Relay (1.0) Calculated Property
IE	8.79	eV	Relay (1.0) Calculated Property
log10WS	-4.44		Relay (1.0) Calculated Property
logPoct/wat	3.816		Crippen Calculated Property
McVol	197.760	ml/mol	McGowan Calculated Property
Pc	1895.30	kPa	Joback Calculated Property
Inp	[1547.00; 1547.00]
Inp	1547.00		NIST
Inp	1547.00		NIST
I	[1960.00; 1960.00]
I	1960.00		NIST
I	1960.00		NIST
Tboil	551.16	K	Relay (1.0) Calculated Property
Tc	756.20	K	Relay (1.0) Calculated Property
Tfus	285.50	K	Relay (1.0) Calculated Property
Vc	0.675	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[533.43; 654.65]	J/mol×K	[575.31; 791.69]
Cp,gas	533.43	J/mol×K	575.31	Joback Calculated Property
Cp,gas	556.69	J/mol×K	611.37	Joback Calculated Property
Cp,gas	578.53	J/mol×K	647.44	Joback Calculated Property
Cp,gas	599.11	J/mol×K	683.50	Joback Calculated Property
Cp,gas	618.55	J/mol×K	719.56	Joback Calculated Property
Cp,gas	637.02	J/mol×K	755.63	Joback Calculated Property
Cp,gas	654.65	J/mol×K	791.69	Joback Calculated Property

Similar Compounds

Find more compounds similar to 6,12-Epoxyelema-1,3-diene.

Sources

• Cheméo Relay (1.0)
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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