Chemical Properties of [4,5-2H2]-trans-4,5-Epoxy-(E)-2-decenal

InChI

InChI=1S/C10H18O2/c1-2-3-4-6-9-10(12-9)7-5-8-11/h8-10H,2-7H2,1H3/t9-,10-/m1/s1/i9D,10D

InChI Key

ZMSFXIUDNVVMIZ-XKXKDXACSA-N

Formula

C10H16D2O2

SMILES

CCCCCC1OC1CCC=O

Molecular Weight¹

172.26

• ω : Acentric Factor.
• C_p,gas : Ideal gas heat capacity (J/mol×K).
• η : Dynamic viscosity (Pa×s).
• 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.
• 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	0.5375		Relay (1.0) Calculated Property
ΔfG°	-99.28	kJ/mol	Joback Calculated Property
ΔfH°gas	-374.87	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	31.13	kJ/mol	Joback Calculated Property
ΔvapH°	62.82	kJ/mol	Relay (1.0) Calculated Property
IE	9.59	eV	Relay (1.0) Calculated Property
log10WS	-1.89		Relay (1.0) Calculated Property
logPoct/wat	2.313		Crippen Calculated Property
McVol	148.340	ml/mol	McGowan Calculated Property
Pc	2460.47	kPa	Joback Calculated Property
Inp	1380.00		NIST
I	[1995.00; 2011.00]
I	1995.00		NIST
I	2011.00		NIST
Tboil	501.63	K	Relay (1.0) Calculated Property
Tc	692.44	K	Relay (1.0) Calculated Property
Tfus	267.20	K	Relay (1.0) Calculated Property
Vc	0.560	m3/kmol	Relay (1.0) Calculated Property

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[218.72; 531.94]	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			-2.17840e+01
Coefficient B			1.04972e+00
Coefficient C			-6.64100e-04
Coefficient D			1.68100e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	218.72	J/mol×K	273.00	Calculated Property
Cp,gas	273.91	J/mol×K	353.78	Calculated Property
Cp,gas	322.76	J/mol×K	434.56	Calculated Property
Cp,gas	365.81	J/mol×K	515.33	Calculated Property
Cp,gas	403.59	J/mol×K	596.11	Calculated Property
Cp,gas	436.62	J/mol×K	676.89	Calculated Property
Cp,gas	465.44	J/mol×K	757.67	Calculated Property
Cp,gas	490.57	J/mol×K	838.44	Calculated Property
Cp,gas	512.56	J/mol×K	919.22	Calculated Property
Cp,gas	531.94	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0025988; 0.0007079]	Pa×s	[284.73; 480.82]	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			-9.14172e+00
Coefficient B			9.08010e+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.			284.73
Temperature range, max.			480.82
η	0.0025988	Pa×s	284.73	Calculated Property
η	0.0020717	Pa×s	306.52	Calculated Property
η	0.0017020	Pa×s	328.31	Calculated Property
η	0.0014328	Pa×s	350.09	Calculated Property
η	0.0012308	Pa×s	371.88	Calculated Property
η	0.0010753	Pa×s	393.67	Calculated Property
η	0.0009528	Pa×s	415.46	Calculated Property
η	0.0008544	Pa×s	437.24	Calculated Property
η	0.0007742	Pa×s	459.03	Calculated Property
η	0.0007079	Pa×s	480.82	Calculated Property

Similar Compounds

Find more compounds similar to [4,5-2H2]-trans-4,5-Epoxy-(E)-2-decenal.

Sources

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

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