Chemical Properties of epoxytagetone

InChI

InChI=1S/C10H16O2/c1-5-10(4)9(12-10)8(11)6-7(2)3/h5,7,9H,1,6H2,2-4H3

InChI Key

ZWTQFBZSHCNGGC-UHFFFAOYSA-N

Formula

C10H16O2

SMILES

C=CC1(C)OC1C(=O)CC(C)C

Molecular Weight¹

168.23

• 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 : 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	0.4011		Relay (... Calculated Property
ΔfG°	-48.77	kJ/mol	Joback Calculated Property
ΔfH°gas	-352.77	kJ/mol	Relay (... Calculated Property
ΔfusH°	19.34	kJ/mol	Joback Calculated Property
ΔvapH°	52.93	kJ/mol	Relay (... Calculated Property
IE	9.22	eV	Relay (... Calculated Property
log10WS	-1.99		Relay (... Calculated Property
logPoct/wat	1.945		Crippen Calculated Property
McVol	144.040	ml/mol	McGowan Calculated Property
Pc	2679.08	kPa	Joback Calculated Property
I	[1696.00; 1696.00]
I	1696.00		NIST
I	1696.00		NIST
Tboil	445.49	K	Relay (... Calculated Property
Tc	652.77	K	Relay (... Calculated Property
Tfus	277.04	K	Relay (... Calculated Property
Vc	0.523	m3/kmol	Relay (... Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[342.31; 419.61]	J/mol×K	[507.57; 708.27]
Cp,gas	342.31	J/mol×K	507.57	Joback Calculated Property
Cp,gas	357.29	J/mol×K	541.02	Joback Calculated Property
Cp,gas	371.29	J/mol×K	574.47	Joback Calculated Property
Cp,gas	384.41	J/mol×K	607.92	Joback Calculated Property
Cp,gas	396.77	J/mol×K	641.37	Joback Calculated Property
Cp,gas	408.47	J/mol×K	674.82	Joback Calculated Property
Cp,gas	419.61	J/mol×K	708.27	Joback Calculated Property

Similar Compounds

Find more compounds similar to epoxytagetone.

Sources

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

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