Chemical Properties of Cyclocitral, 2,3-epoxy

InChI

InChI=1S/C10H16O2/c1-8(2)5-4-6-9(3)10(8,7-11)12-9/h7H,4-6H2,1-3H3

InChI Key

GQFVNWGJQXEELI-UHFFFAOYSA-N

Formula

C10H16O2

SMILES

CC1(C)CCCC2(C)OC12C=O

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_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
ω	0.3737		Relay (1.0) Calculated Property
ΔfG°	-67.10	kJ/mol	Joback Calculated Property
ΔfH°gas	-340.80	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	8.27	kJ/mol	Joback Calculated Property
ΔvapH°	55.86	kJ/mol	Relay (1.0) Calculated Property
IE	8.81	eV	Relay (1.0) Calculated Property
log10WS	-2.31		Relay (1.0) Calculated Property
logPoct/wat	1.923		Crippen Calculated Property
McVol	137.480	ml/mol	McGowan Calculated Property
Pc	3356.75	kPa	Joback Calculated Property
Inp	[1100.00; 1100.00]
Inp	1100.00		NIST
Inp	1100.00		NIST
Tboil	468.49	K	Relay (1.0) Calculated Property
Tc	718.84	K	Relay (1.0) Calculated Property
Tfus	372.51	K	Relay (1.0) Calculated Property
Vc	0.495	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[347.00; 428.75]	J/mol×K	[517.61; 745.43]
Cp,gas	347.00	J/mol×K	517.61	Joback Calculated Property
Cp,gas	363.35	J/mol×K	555.58	Joback Calculated Property
Cp,gas	378.11	J/mol×K	593.55	Joback Calculated Property
Cp,gas	391.66	J/mol×K	631.52	Joback Calculated Property
Cp,gas	404.37	J/mol×K	669.49	Joback Calculated Property
Cp,gas	416.61	J/mol×K	707.46	Joback Calculated Property
Cp,gas	428.75	J/mol×K	745.43	Joback Calculated Property

Similar Compounds

Find more compounds similar to Cyclocitral, 2,3-epoxy.

Sources

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

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