Chemical Properties of 12-Tricosanone (CAS 540-09-0)

InChI

InChI=1S/C23H46O/c1-3-5-7-9-11-13-15-17-19-21-23(24)22-20-18-16-14-12-10-8-6-4-2/h3-22H2,1-2H3

InChI Key

VARQGBHBYZTYLJ-UHFFFAOYSA-N

Formula

C23H46O

SMILES

CCCCCCCCCCCC(=O)CCCCCCCCCCC

Molecular Weight¹

338.62

CAS

540-09-0

Other Names

• Diundecyl ketone
• Lauron
• Laurone
• Undecyl ketone
• di-n-Undecyl ketone
• tricosan-12-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_fusH : Enthalpy of fusion at a given temperature (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).
• 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	1.0133		Relay (1.0) Calculated Property
ΔfG°	13.86	kJ/mol	Joback Calculated Property
ΔfH°gas	-649.66	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	56.92	kJ/mol	Joback Calculated Property
ΔvapH°	111.10	kJ/mol	Relay (1.0) Calculated Property
IE	9.36	eV	Relay (1.0) Calculated Property
log10WS	-8.09		Relay (1.0) Calculated Property
logPoct/wat	8.397		Crippen Calculated Property
McVol	336.500	ml/mol	McGowan Calculated Property
Pc	884.19	kPa	Joback Calculated Property
Tboil	608.34	K	Relay (1.0) Calculated Property
Tc	800.25	K	Relay (1.0) Calculated Property
Tfus	[341.75; 342.00]	K
Tfus	341.75	K	Jean-Claude Bradley Open Melting Point Dataset (2014, CC0) Compiled value
Tfus	342.00 ± 0.50	K	NIST
Vc	1.319	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
ΔfusH	[78.03; 78.03]	kJ/mol	[342.20; 342.20]
ΔfusH	78.03	kJ/mol	342.20	NIST
ΔfusH	78.03	kJ/mol	342.20	NIST

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[494.32; 1194.94]	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			-1.06600e+01
Coefficient B			2.16084e+00
Coefficient C			-1.20870e-03
Coefficient D			2.53460e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	494.32	J/mol×K	273.00	Calculated Property
Cp,gas	613.74	J/mol×K	353.78	Calculated Property
Cp,gas	720.90	J/mol×K	434.56	Calculated Property
Cp,gas	816.59	J/mol×K	515.33	Calculated Property
Cp,gas	901.62	J/mol×K	596.11	Calculated Property
Cp,gas	976.80	J/mol×K	676.89	Calculated Property
Cp,gas	1042.91	J/mol×K	757.67	Calculated Property
Cp,gas	1100.78	J/mol×K	838.44	Calculated Property
Cp,gas	1151.18	J/mol×K	919.22	Calculated Property
Cp,gas	1194.94	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0056154; 0.0001141]	Pa×s	[341.88; 669.41]	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			-1.31451e+01
Coefficient B			2.72231e+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.			341.88
Temperature range, max.			669.41
η	0.0056154	Pa×s	341.88	Calculated Property
η	0.0026102	Pa×s	378.27	Calculated Property
η	0.0013879	Pa×s	414.66	Calculated Property
η	0.0008172	Pa×s	451.05	Calculated Property
η	0.0005207	Pa×s	487.45	Calculated Property
η	0.0003533	Pa×s	523.84	Calculated Property
η	0.0002521	Pa×s	560.23	Calculated Property
η	0.0001874	Pa×s	596.63	Calculated Property
η	0.0001442	Pa×s	633.02	Calculated Property
η	0.0001141	Pa×s	669.41	Calculated Property

Property	Value	Unit	Temperature (K)	Source
Pvap	[1.33; 202.66]	kPa	[520.12; 709.15]	The Yaws Handbook of Vapor Pressure
Equation			ln(Y) = A + B/(T + C) Y is Pvap in kPa, T in K
Coefficient A			1.56923e+01
Coefficient B			-6.01682e+03
Coefficient C			-1.29537e+02
Temperature range, min.			520.12
Temperature range, max.			709.15
Pvap	1.33	kPa	520.12	Calculated Property
Pvap	2.93	kPa	541.12	Calculated Property
Pvap	5.95	kPa	562.13	Calculated Property
Pvap	11.33	kPa	583.13	Calculated Property
Pvap	20.38	kPa	604.13	Calculated Property
Pvap	34.88	kPa	625.14	Calculated Property
Pvap	57.13	kPa	646.14	Calculated Property
Pvap	90.06	kPa	667.14	Calculated Property
Pvap	137.17	kPa	688.15	Calculated Property
Pvap	202.66	kPa	709.15	Calculated Property

Similar Compounds

Find more compounds similar to 12-Tricosanone.

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).
• Cheméo Relay (1.0)
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook
• The Yaws Handbook of Vapor Pressure

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