Chemical Properties of (2E)-trans-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-/m1/s1

InChI Key

HIWBOMGTTYWHPK-ABZNLYFFSA-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 : 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
I	[2000.00; 2000.00]
I	2000.00		NIST
I	2000.00		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.

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[419.19; 502.89]	J/mol×K	[526.54; 703.19]
Cp,gas	419.19	J/mol×K	526.54	Joback Calculated Property
Cp,gas	434.85	J/mol×K	555.98	Joback Calculated Property
Cp,gas	449.78	J/mol×K	585.42	Joback Calculated Property
Cp,gas	464.03	J/mol×K	614.86	Joback Calculated Property
Cp,gas	477.61	J/mol×K	644.31	Joback Calculated Property
Cp,gas	490.55	J/mol×K	673.75	Joback Calculated Property
Cp,gas	502.89	J/mol×K	703.19	Joback Calculated Property
η	[0.0002014; 0.0069575]	Pa×s	[246.92; 526.54]
η	0.0069575	Pa×s	246.92	Joback Calculated Property
η	0.0024127	Pa×s	293.52	Joback Calculated Property
η	0.0011184	Pa×s	340.13	Joback Calculated Property
η	0.0006240	Pa×s	386.73	Joback Calculated Property
η	0.0003947	Pa×s	433.33	Joback Calculated Property
η	0.0002729	Pa×s	479.94	Joback Calculated Property
η	0.0002014	Pa×s	526.54	Joback Calculated Property

Similar Compounds

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

Sources

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

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