Chemical Properties of trans-2,3-epoxydodecanal

InChI

InChI=1S/C12H22O2/c1-2-3-4-5-6-7-8-9-11-12(10-13)14-11/h10-12H,2-9H2,1H3/t11-,12-/m0/s1

InChI Key

WJEHBSHUBXDAJC-RYUDHWBXSA-N

Formula

C12H22O2

SMILES

CCCCCCCCCC1OC1C=O

Molecular Weight¹

198.30

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• η : Dynamic viscosity (Pa×s).
• Δ_fusH° : Enthalpy of fusion at standard conditions (kJ/mol).
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• I_np : Non-polar retention indices.
• I_p : Polar retention indices.
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔfusH°	36.31	kJ/mol	Joback Calculated Property
logPoct/wat	3.093		Crippen Calculated Property
McVol	176.520	ml/mol	McGowan Calculated Property
Inp	1500.00		NIST
Ip	[1967.00; 1967.00]
Ip	1967.00		NIST
Ip	1967.00		NIST

Cheméo can also estimate Normal Boiling Point Temperature, Normal melting (fusion) point, Critical Temperature, Critical Pressure, Critical Volume, Enthalpy of formation at standard conditions, Enthalpy of vaporization at standard conditions, Standard Gibbs free energy of formation, Acentric Factor, Ionization energy, 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	[261.14; 635.12]	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			-2.36020e+01
Coefficient B			1.23972e+00
Coefficient C			-7.72900e-04
Coefficient D			1.91900e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	261.14	J/mol×K	273.00	Calculated Property
Cp,gas	326.75	J/mol×K	353.78	Calculated Property
Cp,gas	384.92	J/mol×K	434.56	Calculated Property
Cp,gas	436.27	J/mol×K	515.33	Calculated Property
Cp,gas	481.41	J/mol×K	596.11	Calculated Property
Cp,gas	520.94	J/mol×K	676.89	Calculated Property
Cp,gas	555.47	J/mol×K	757.67	Calculated Property
Cp,gas	585.60	J/mol×K	838.44	Calculated Property
Cp,gas	611.95	J/mol×K	919.22	Calculated Property
Cp,gas	635.12	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0029699; 0.0007177]	Pa×s	[307.27; 510.47]	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			-9.38719e+00
Coefficient B			1.09633e+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.			307.27
Temperature range, max.			510.47
η	0.0029699	Pa×s	307.27	Calculated Property
η	0.0023264	Pa×s	329.85	Calculated Property
η	0.0018802	Pa×s	352.43	Calculated Property
η	0.0015591	Pa×s	375.00	Calculated Property
η	0.0013206	Pa×s	397.58	Calculated Property
η	0.0011387	Pa×s	420.16	Calculated Property
η	0.0009968	Pa×s	442.74	Calculated Property
η	0.0008840	Pa×s	465.31	Calculated Property
η	0.0007927	Pa×s	487.89	Calculated Property
η	0.0007177	Pa×s	510.47	Calculated Property

Similar Compounds

Find more compounds similar to trans-2,3-epoxydodecanal.

Sources

• Cheméo Relay (1.0)
• Cheméo Relay (1.0, beta) Beta: served but experimental, data-limited and below our cross-validation release bar; the Joback value is recommended where available.
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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