Chemical Properties of 7-Tetradecanone (CAS 6137-34-4)

InChI

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

InChI Key

ZEKPOTWCBTUBEB-UHFFFAOYSA-N

Formula

C14H28O

SMILES

CCCCCCCC(=O)CCCCCC

Molecular Weight¹

212.37

CAS

6137-34-4

• 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).
• Δ_vapH : Enthalpy of vaporization at a given temperature (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	0.6970		Relay (1.0) Calculated Property
ΔfG°	-61.92	kJ/mol	Joback Calculated Property
ΔfH°gas	-462.18	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	33.62	kJ/mol	Joback Calculated Property
ΔvapH°	73.76	kJ/mol	Relay (1.0) Calculated Property
IE	9.07	eV	Relay (1.0) Calculated Property
log10WS	-5.21		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	536.63	K	Relay (1.0) Calculated Property
Tc	[722.90; 723.00]	K
Tc	723.00	K	IUPAC Vapor-Liquid Critical Properties of Elements and Compounds, part 7 Compiled value
Tc	722.90 ± 4.20	K	NIST
Tfus	301.40	K	Relay (1.0) Calculated Property
Vc	0.904	m3/kmol	IUPAC Vapor-Liquid Critical Properties of Elements and Compounds, part 7 Compiled value

Temperature Dependent Properties

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; 0.0002988]	Pa×s	[297.47; 506.06]	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.			506.06
η	0.0040142	Pa×s	297.47	Calculated Property
η	0.0025453	Pa×s	320.65	Calculated Property
η	0.0017162	Pa×s	343.82	Calculated Property
η	0.0012162	Pa×s	367.00	Calculated Property
η	0.0008979	Pa×s	390.18	Calculated Property
η	0.0006858	Pa×s	413.36	Calculated Property
η	0.0005390	Pa×s	436.53	Calculated Property
η	0.0004341	Pa×s	459.71	Calculated Property
η	0.0003569	Pa×s	482.89	Calculated Property
η	0.0002988	Pa×s	506.06	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 7-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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