Chemical Properties of 1-undecenone-5

InChI

InChI=1S/C11H20O/c1-3-5-7-8-10-11(12)9-6-4-2/h4H,2-3,5-10H2,1H3

InChI Key

JNPDGURVXCOKCA-UHFFFAOYSA-N

Formula

C11H20O

SMILES

C=CCCC(=O)CCCCCC

Molecular Weight¹

168.28

• 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 : 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	0.5289		Relay (1.0) Calculated Property
ΔfG°	0.66	kJ/mol	Joback Calculated Property
ΔfH°gas	-292.79	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	24.57	kJ/mol	Joback Calculated Property
ΔvapH°	58.15	kJ/mol	Relay (1.0) Calculated Property
IE	9.25	eV	Relay (1.0) Calculated Property
log10WS	-3.25		Relay (1.0) Calculated Property
logPoct/wat	3.492		Crippen Calculated Property
McVol	163.120	ml/mol	McGowan Calculated Property
Pc	2125.60	kPa	Joback Calculated Property
I	[1569.00; 1569.00]
I	1569.00		NIST
I	1569.00		NIST
Tboil	490.71	K	Relay (1.0) Calculated Property
Tc	679.92	K	Relay (1.0) Calculated Property
Tfus	269.14	K	Relay (1.0) Calculated Property
Vc	0.595	m3/kmol	Relay (1.0) Calculated Property

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[229.95; 547.34]	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			-2.74300e+00
Coefficient B			1.00082e+00
Coefficient C			-5.78800e-04
Coefficient D			1.28060e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	229.95	J/mol×K	273.00	Calculated Property
Cp,gas	284.55	J/mol×K	353.78	Calculated Property
Cp,gas	333.38	J/mol×K	434.56	Calculated Property
Cp,gas	376.83	J/mol×K	515.33	Calculated Property
Cp,gas	415.31	J/mol×K	596.11	Calculated Property
Cp,gas	449.22	J/mol×K	676.89	Calculated Property
Cp,gas	478.98	J/mol×K	757.67	Calculated Property
Cp,gas	504.98	J/mol×K	838.44	Calculated Property
Cp,gas	527.63	J/mol×K	919.22	Calculated Property
Cp,gas	547.34	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0041360; 0.0003052]	Pa×s	[261.90; 473.56]	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			-1.13194e+01
Coefficient B			1.52723e+03
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Temperature range, min.			261.90
Temperature range, max.			473.56
η	0.0041360	Pa×s	261.90	Calculated Property
η	0.0025580	Pa×s	285.42	Calculated Property
η	0.0017022	Pa×s	308.94	Calculated Property
η	0.0011998	Pa×s	332.45	Calculated Property
η	0.0008858	Pa×s	355.97	Calculated Property
η	0.0006790	Pa×s	379.49	Calculated Property
η	0.0005369	Pa×s	403.01	Calculated Property
η	0.0004356	Pa×s	426.53	Calculated Property
η	0.0003613	Pa×s	450.04	Calculated Property
η	0.0003052	Pa×s	473.56	Calculated Property

Similar Compounds

Find more compounds similar to 1-undecenone-5.

Sources

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

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