Chemical Properties of 4-Tridecanone (CAS 26215-90-7)

InChI

InChI=1S/C13H26O/c1-3-5-6-7-8-9-10-12-13(14)11-4-2/h3-12H2,1-2H3

InChI Key

JWSRUPAFLPWLNO-UHFFFAOYSA-N

Formula

C13H26O

SMILES

CCCCCCCCCC(=O)CCC

Molecular Weight¹

198.35

CAS

26215-90-7

Other Names

• n-Nonyl n-propyl ketone
• tridecan-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	0.6616		Relay (1.0) Calculated Property
ΔfG°	-70.34	kJ/mol	Joback Calculated Property
ΔfH°gas	-438.20	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	31.02	kJ/mol	Joback Calculated Property
ΔvapH°	68.34	kJ/mol	Relay (1.0) Calculated Property
IE	9.03	eV	Relay (1.0) Calculated Property
log10WS	-4.82		Relay (1.0) Calculated Property
logPoct/wat	4.496		Crippen Calculated Property
McVol	195.600	ml/mol	McGowan Calculated Property
Pc	1731.78	kPa	Joback Calculated Property
ρc	241.98 ± 7.93	kg/m3	NIST
Tboil	523.59	K	Relay (1.0) Calculated Property
Tc	[711.60; 712.00]	K
Tc	712.00	K	IUPAC Vapor-Liquid Critical Properties of Elements and Compounds, part 7 Compiled value
Tc	711.60 ± 3.50	K	NIST
Tfus	292.15	K	Jean-Claude Bradley Open Melting Point Dataset (2014, CC0) Compiled value
Vc	0.823	m3/kmol	IUPAC Vapor-Liquid Critical Properties of Elements and Compounds, part 7 Compiled value

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[282.19; 679.03]	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			-1.57000e+00
Coefficient B			1.21084e+00
Coefficient C			-6.64700e-04
Coefficient D			1.34460e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	282.19	J/mol×K	273.00	Calculated Property
Cp,gas	349.56	J/mol×K	353.78	Calculated Property
Cp,gas	410.12	J/mol×K	434.56	Calculated Property
Cp,gas	464.29	J/mol×K	515.33	Calculated Property
Cp,gas	512.51	J/mol×K	596.11	Calculated Property
Cp,gas	555.18	J/mol×K	676.89	Calculated Property
Cp,gas	592.75	J/mol×K	757.67	Calculated Property
Cp,gas	625.63	J/mol×K	838.44	Calculated Property
Cp,gas	654.25	J/mol×K	919.22	Calculated Property
Cp,gas	679.03	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0037172; 0.0002987]	Pa×s	[292.15; 498.26]	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			-1.16900e+01
Coefficient B			1.78071e+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.			292.15
Temperature range, max.			498.26
η	0.0037172	Pa×s	292.15	Calculated Property
η	0.0023867	Pa×s	315.05	Calculated Property
η	0.0016273	Pa×s	337.95	Calculated Property
η	0.0011648	Pa×s	360.85	Calculated Property
η	0.0008676	Pa×s	383.75	Calculated Property
η	0.0006681	Pa×s	406.66	Calculated Property
η	0.0005290	Pa×s	429.56	Calculated Property
η	0.0004289	Pa×s	452.46	Calculated Property
η	0.0003548	Pa×s	475.36	Calculated Property
η	0.0002987	Pa×s	498.26	Calculated Property

Property	Value	Unit	Temperature (K)	Source
Pvap	[1.33; 202.65]	kPa	[405.08; 564.88]	The Yaws Handbook of Vapor Pressure
Equation			ln(Y) = A + B/(T + C) Y is Pvap in kPa, T in K
Coefficient A			1.52310e+01
Coefficient B			-4.71493e+03
Coefficient C			-8.95600e+01
Temperature range, min.			405.08
Temperature range, max.			564.88
Pvap	1.33	kPa	405.08	Calculated Property
Pvap	2.96	kPa	422.84	Calculated Property
Pvap	6.05	kPa	440.59	Calculated Property
Pvap	11.54	kPa	458.35	Calculated Property
Pvap	20.76	kPa	476.10	Calculated Property
Pvap	35.48	kPa	493.86	Calculated Property
Pvap	57.95	kPa	511.61	Calculated Property
Pvap	90.97	kPa	529.37	Calculated Property
Pvap	137.91	kPa	547.12	Calculated Property
Pvap	202.65	kPa	564.88	Calculated Property

Similar Compounds

Find more compounds similar to 4-Tridecanone.

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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