Chemical Properties of (2E)-cis-4,5-Epoxy-2-decenal

InChI

InChI=1S/C12H22O/c1-3-5-6-9-12(4-2)10-7-8-11-13/h7-8,11-12H,3-6,9-10H2,1-2H3/b8-7+/t12-/m0/s1

InChI Key

HIWBOMGTTYWHPK-GUOLPTJISA-N

Formula

C12H22O

SMILES

CCCCCC(CC)CC=CC=O

Molecular Weight¹

182.30

• ω : Acentric Factor.
• C_p,gas : Ideal gas heat capacity (J/mol×K).
• η : Dynamic viscosity (Pa×s).
• 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).
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• P_c : Critical Pressure (kPa).
• I_p : 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	0.5369		Relay (1.0) Calculated Property
ΔfH°gas	-292.57	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	25.80	kJ/mol	Joback Calculated Property
ΔvapH°	67.70	kJ/mol	Relay (1.0) Calculated Property
IE	9.41	eV	Relay (1.0) Calculated Property
logPoct/wat	3.738		Crippen Calculated Property
McVol	177.210	ml/mol	McGowan Calculated Property
Pc	2000.12	kPa	Joback Calculated Property
Ip	[1986.00; 1986.00]
Ip	1986.00		NIST
Ip	1986.00		NIST
Tboil	511.48	K	Relay (1.0) Calculated Property
Tc	705.55	K	Relay (1.0) Calculated Property
Tfus	215.05	K	Relay (1.0) Calculated Property
Vc	0.619	m3/kmol	Relay (1.0) Calculated Property

Cheméo can also estimate Standard Gibbs free energy of formation, Log10 of Water solubility in mol/l for this compound, but they fall outside the models' validated range, so they are not shown here. Open the prediction tool to compute them on demand.

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[250.64; 599.16]	J/mol×K	[273.00; 1000.00]	Joback Predicted correlation
Equation			Y = A + B·T + C·T² + D·T³ + E·T⁴ Y is Cp,gas in J/mol×K, T in K
Coefficient A			-1.24840e+01
Coefficient B			1.14424e+00
Coefficient C			-7.09000e-04
Coefficient D			1.76400e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	250.64	J/mol×K	273.00	Calculated Property
Cp,gas	311.40	J/mol×K	353.78	Calculated Property
Cp,gas	365.34	J/mol×K	434.56	Calculated Property
Cp,gas	413.03	J/mol×K	515.33	Calculated Property
Cp,gas	455.03	J/mol×K	596.11	Calculated Property
Cp,gas	491.90	J/mol×K	676.89	Calculated Property
Cp,gas	524.19	J/mol×K	757.67	Calculated Property
Cp,gas	552.45	J/mol×K	838.44	Calculated Property
Cp,gas	577.26	J/mol×K	919.22	Calculated Property
Cp,gas	599.16	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0069575; 0.0002505]	Pa×s	[246.92; 492.23]	Joback Predicted correlation
Equation			Y = exp(A + B/T + C·ln(T) + D·T^E) Y is η in Pa×s, T in K
Coefficient A			-1.16383e+01
Coefficient B			1.64705e+03
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Comment			Liquid phase. Joback/Reid (1987), valid from Tf to 0.7·Tc.
Temperature range, min.			246.92
Temperature range, max.			492.23
η	0.0069575	Pa×s	246.92	Calculated Property
η	0.0035848	Pa×s	274.18	Calculated Property
η	0.0020824	Pa×s	301.43	Calculated Property
η	0.0013236	Pa×s	328.69	Calculated Property
η	0.0009018	Pa×s	355.95	Calculated Property
η	0.0006489	Pa×s	383.20	Calculated Property
η	0.0004878	Pa×s	410.46	Calculated Property
η	0.0003799	Pa×s	437.72	Calculated Property
η	0.0003047	Pa×s	464.97	Calculated Property
η	0.0002505	Pa×s	492.23	Calculated Property

Similar Compounds

Find more compounds similar to (2E)-cis-4,5-Epoxy-2-decenal.

Sources

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

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