Chemical Properties of 4-Tetradecanone (CAS 26496-20-8)

InChI

InChI=1S/C14H28O/c1-3-5-6-7-8-9-10-11-13-14(15)12-4-2/h3-13H2,1-2H3

InChI Key

OWIOJZLDFONFSU-UHFFFAOYSA-N

Formula

C14H28O

SMILES

CCCCCCCCCCC(=O)CCC

Molecular Weight¹

212.37

CAS

26496-20-8

Other Names

• tetradecan-4-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_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	0.6969		Relay (1.0) Calculated Property
ΔfG°	-61.92	kJ/mol	Joback Calculated Property
ΔfH°gas	-459.69	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	33.62	kJ/mol	Joback Calculated Property
ΔvapH°	73.02	kJ/mol	Relay (1.0) Calculated Property
IE	9.06	eV	Relay (1.0) Calculated Property
log10WS	-5.24		Relay (1.0) Calculated Property
logPoct/wat	4.886		Crippen Calculated Property
McVol	209.690	ml/mol	McGowan Calculated Property
Pc	1601.28	kPa	Joback Calculated Property
ρc	235.73 ± 6.37	kg/m3	NIST
Tboil	537.15	K	Relay (1.0) Calculated Property
Tc	[725.00; 725.20]	K
Tc	725.00	K	IUPAC Vapor-Liquid Critical Properties of Elements and Compounds, part 7 Compiled value
Tc	725.20 ± 3.70	K	NIST
Tfus	304.10	K	Relay (1.0) Calculated Property
Vc	0.900	m3/kmol	IUPAC Vapor-Liquid Critical Properties of Elements and Compounds, part 7 Compiled value

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[303.40; 730.62]	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			-2.47900e+00
Coefficient B			1.30584e+00
Coefficient C			-7.19100e-04
Coefficient D			1.46360e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	303.40	J/mol×K	273.00	Calculated Property
Cp,gas	375.98	J/mol×K	353.78	Calculated Property
Cp,gas	441.20	J/mol×K	434.56	Calculated Property
Cp,gas	499.52	J/mol×K	515.33	Calculated Property
Cp,gas	551.42	J/mol×K	596.11	Calculated Property
Cp,gas	597.34	J/mol×K	676.89	Calculated Property
Cp,gas	637.77	J/mol×K	757.67	Calculated Property
Cp,gas	673.14	J/mol×K	838.44	Calculated Property
Cp,gas	703.94	J/mol×K	919.22	Calculated Property
Cp,gas	730.62	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0040142; 0.0002955]	Pa×s	[297.47; 507.57]	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			-1.18206e+01
Coefficient B			1.87487e+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.			297.47
Temperature range, max.			507.57
η	0.0040142	Pa×s	297.47	Calculated Property
η	0.0025376	Pa×s	320.81	Calculated Property
η	0.0017071	Pa×s	344.16	Calculated Property
η	0.0012077	Pa×s	367.50	Calculated Property
η	0.0008905	Pa×s	390.85	Calculated Property
η	0.0006796	Pa×s	414.19	Calculated Property
η	0.0005338	Pa×s	437.54	Calculated Property
η	0.0004296	Pa×s	460.88	Calculated Property
η	0.0003531	Pa×s	484.23	Calculated Property
η	0.0002955	Pa×s	507.57	Calculated Property

Property	Value	Unit	Temperature (K)	Source
Pvap	[1.33; 202.66]	kPa	[417.96; 582.33]	The Yaws Handbook of Vapor Pressure
Equation			ln(Y) = A + B/(T + C) Y is Pvap in kPa, T in K
Coefficient A			1.52122e+01
Coefficient B			-4.83443e+03
Coefficient C			-9.40360e+01
Temperature range, min.			417.96
Temperature range, max.			582.33
Pvap	1.33	kPa	417.96	Calculated Property
Pvap	2.96	kPa	436.22	Calculated Property
Pvap	6.05	kPa	454.49	Calculated Property
Pvap	11.55	kPa	472.75	Calculated Property
Pvap	20.78	kPa	491.01	Calculated Property
Pvap	35.51	kPa	509.28	Calculated Property
Pvap	57.99	kPa	527.54	Calculated Property
Pvap	91.02	kPa	545.80	Calculated Property
Pvap	137.94	kPa	564.07	Calculated Property
Pvap	202.66	kPa	582.33	Calculated Property

Similar Compounds

Find more compounds similar to 4-Tetradecanone.

Sources

• 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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