Chemical Properties of [2,3-2H2]-trans-2,3-Epoxyoctanal

InChI

InChI=1S/C8H14O2/c1-2-3-4-5-7-8(6-9)10-7/h6-8H,2-5H2,1H3/t7-,8-/m1/s1/i7D,8D

InChI Key

YWFUECKBUFORTA-YAZXJRJDSA-N

Formula

C8H12D2O2

SMILES

CCCCCC1OC1C=O

Molecular Weight¹

144.21

• 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 : Polar retention indices.
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔfusH°	25.95	kJ/mol	Joback Calculated Property
logPoct/wat	1.533		Crippen Calculated Property
McVol	120.160	ml/mol	McGowan Calculated Property
Inp	1093.00		NIST
I	[1533.00; 1542.00]
I	1533.00		NIST
I	1542.00		NIST
I	1533.00		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	[176.29; 428.75]	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			-1.99660e+01
Coefficient B			8.59720e-01
Coefficient C			-5.55300e-04
Coefficient D			1.44300e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	176.29	J/mol×K	273.00	Calculated Property
Cp,gas	221.07	J/mol×K	353.78	Calculated Property
Cp,gas	260.61	J/mol×K	434.56	Calculated Property
Cp,gas	295.35	J/mol×K	515.33	Calculated Property
Cp,gas	325.76	J/mol×K	596.11	Calculated Property
Cp,gas	352.29	J/mol×K	676.89	Calculated Property
Cp,gas	375.40	J/mol×K	757.67	Calculated Property
Cp,gas	395.54	J/mol×K	838.44	Calculated Property
Cp,gas	413.18	J/mol×K	919.22	Calculated Property
Cp,gas	428.75	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0020728; 0.0006561]	Pa×s	[262.19; 451.32]	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			-8.92378e+00
Coefficient B			7.19690e+02
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.			262.19
Temperature range, max.			451.32
η	0.0020728	Pa×s	262.19	Calculated Property
η	0.0016908	Pa×s	283.20	Calculated Property
η	0.0014186	Pa×s	304.22	Calculated Property
η	0.0012175	Pa×s	325.23	Calculated Property
η	0.0010645	Pa×s	346.25	Calculated Property
η	0.0009451	Pa×s	367.26	Calculated Property
η	0.0008500	Pa×s	388.28	Calculated Property
η	0.0007729	Pa×s	409.29	Calculated Property
η	0.0007093	Pa×s	430.31	Calculated Property
η	0.0006561	Pa×s	451.32	Calculated Property

Similar Compounds

Find more compounds similar to [2,3-2H2]-trans-2,3-Epoxyoctanal.

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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