Chemical Properties of 5-Undecanone (CAS 33083-83-9)

InChI

InChI=1S/C11H22O/c1-3-5-7-8-10-11(12)9-6-4-2/h3-10H2,1-2H3

InChI Key

WENNKWXPAWNIOO-UHFFFAOYSA-N

Formula

C11H22O

SMILES

CCCCCCC(=O)CCCC

Molecular Weight¹

170.29

CAS

33083-83-9

Other Names

• Butyl hexyl ketone
• Undecan-5-one

• 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).
• P_vap : Vapor pressure (kPa).
• ρ_c : Critical density (kg/m³).
• T_boil : Normal Boiling Point Temperature (K).
• T_boilr : Boiling point at reduced pressure (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	0.5899		Relay (1.0) Calculated Property
ΔfG°	-87.18	kJ/mol	Joback Calculated Property
ΔfH°gas	-398.91	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	25.84	kJ/mol	Joback Calculated Property
ΔvapH°	60.63	kJ/mol	Relay (1.0) Calculated Property
IE	9.10	eV	Relay (1.0) Calculated Property
log10WS	-3.74		Relay (1.0) Calculated Property
logPoct/wat	3.716		Crippen Calculated Property
McVol	167.420	ml/mol	McGowan Calculated Property
Pc	2045.61	kPa	Joback Calculated Property
ρc	245.22 ± 6.81	kg/m3	NIST
Tboil	491.03	K	Relay (1.0) Calculated Property
Tc	[679.00; 679.40]	K
Tc	679.00	K	IUPAC Vapor-Liquid Critical Properties of Elements and Compounds, part 7 Compiled value
Tc	679.40 ± 1.50	K	NIST
Tfus	[275.00; 275.15]	K
Tfus	275.15	K	Jean-Claude Bradley Open Melting Point Dataset (2014, CC0) Compiled value
Tfus	275.00 ± 4.00	K	NIST
Vc	0.692	m3/kmol	IUPAC Vapor-Liquid Critical Properties of Elements and Compounds, part 7 Compiled value

Pressure Dependent Properties

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[239.76; 575.85]	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			2.48000e-01
Coefficient B			1.02084e+00
Coefficient C			-5.55900e-04
Coefficient D			1.10660e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	239.76	J/mol×K	273.00	Calculated Property
Cp,gas	296.72	J/mol×K	353.78	Calculated Property
Cp,gas	347.97	J/mol×K	434.56	Calculated Property
Cp,gas	393.84	J/mol×K	515.33	Calculated Property
Cp,gas	434.68	J/mol×K	596.11	Calculated Property
Cp,gas	470.86	J/mol×K	676.89	Calculated Property
Cp,gas	502.72	J/mol×K	757.67	Calculated Property
Cp,gas	530.60	J/mol×K	838.44	Calculated Property
Cp,gas	554.86	J/mol×K	919.22	Calculated Property
Cp,gas	575.85	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0034981; 0.0003050]	Pa×s	[275.07; 475.44]	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			-1.14445e+01
Coefficient B			1.59239e+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.			275.07
Temperature range, max.			475.44
η	0.0034981	Pa×s	275.07	Calculated Property
η	0.0022677	Pa×s	297.34	Calculated Property
η	0.0015616	Pa×s	319.60	Calculated Property
η	0.0011289	Pa×s	341.86	Calculated Property
η	0.0008491	Pa×s	364.13	Calculated Property
η	0.0006600	Pa×s	386.39	Calculated Property
η	0.0005273	Pa×s	408.65	Calculated Property
η	0.0004311	Pa×s	430.91	Calculated Property
η	0.0003596	Pa×s	453.18	Calculated Property
η	0.0003050	Pa×s	475.44	Calculated Property

Property	Value	Unit	Temperature (K)	Source
Pvap	[1.33; 202.65]	kPa	[377.62; 527.09]	The Yaws Handbook of Vapor Pressure
Equation			ln(Y) = A + B/(T + C) Y is Pvap in kPa, T in K
Coefficient A			1.53084e+01
Coefficient B			-4.46763e+03
Coefficient C			-8.01920e+01
Temperature range, min.			377.62
Temperature range, max.			527.09
Pvap	1.33	kPa	377.62	Calculated Property
Pvap	2.95	kPa	394.23	Calculated Property
Pvap	6.03	kPa	410.84	Calculated Property
Pvap	11.50	kPa	427.44	Calculated Property
Pvap	20.70	kPa	444.05	Calculated Property
Pvap	35.37	kPa	460.66	Calculated Property
Pvap	57.81	kPa	477.27	Calculated Property
Pvap	90.81	kPa	493.87	Calculated Property
Pvap	137.78	kPa	510.48	Calculated Property
Pvap	202.65	kPa	527.09	Calculated Property

Similar Compounds

Find more compounds similar to 5-Undecanone.

Sources

• Jean-Claude Bradley Open Melting Point Dataset (2014, CC0) ChEDL chemicals 1.5.2, from Bradley, J.-C.; Williams, A.; Lang, A. Jean-Claude Bradley Open Melting Point Dataset. Figshare, 2014 (CC0).
• IUPAC Vapor-Liquid Critical Properties of Elements and Compounds, part 7 ChEDL chemicals 1.5.2, from Kudchadker, A. P.; Ambrose, D.; Tsonopoulos, C. Vapor-Liquid Critical Properties of Elements and Compounds. 7. Oxygen Compounds Other Than Alkanols and Cycloalkanols. J. Chem. Eng. Data 2001, 46, 457-479.
• Cheméo Relay (1.0)
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook
• The Yaws Handbook of Vapor Pressure

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