Chemical Properties of 10-Nonadecanone (CAS 504-57-4)

InChI

InChI=1S/C19H38O/c1-3-5-7-9-11-13-15-17-19(20)18-16-14-12-10-8-6-4-2/h3-18H2,1-2H3

InChI Key

YUPOCHDBBHTUBJ-UHFFFAOYSA-N

Formula

C19H38O

SMILES

CCCCCCCCCC(=O)CCCCCCCCC

Molecular Weight¹

282.50

CAS

504-57-4

Other Names

• Di-n-nonyl ketone
• Dinonyl ketone
• nonadecan-10-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).
• I_np : Non-polar retention indices.
• 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	0.8729		Relay (1.0) Calculated Property
ΔfG°	-19.82	kJ/mol	Joback Calculated Property
ΔfH°gas	-566.32	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	46.56	kJ/mol	Joback Calculated Property
ΔvapH°	93.00	kJ/mol	Relay (1.0) Calculated Property
IE	9.21	eV	Relay (1.0) Calculated Property
log10WS	-6.96		Relay (1.0) Calculated Property
logPoct/wat	6.837		Crippen Calculated Property
McVol	280.140	ml/mol	McGowan Calculated Property
Pc	1126.83	kPa	Joback Calculated Property
Inp	[2045.00; 2082.00]
Inp	2045.00		NIST
Inp	2082.00		NIST
Inp	2045.00		NIST
Tboil	582.46	K	Relay (1.0) Calculated Property
Tc	771.37	K	Relay (1.0) Calculated Property
Tfus	[329.15; 338.65]	K
Tfus	338.65	K	Jean-Claude Bradley Open Melting Point Dataset (2014, CC0) Compiled value
Tfus	330.00 ± 0.50	K	NIST
Tfus	330.00 ± 0.10	K	NIST
Tfus	329.15 ± 1.50	K	NIST
Vc	1.093	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
ΔfusH	[66.67; 66.67]	kJ/mol	[330.00; 330.00]
ΔfusH	66.67	kJ/mol	330.00	NIST
ΔfusH	66.67	kJ/mol	330.00	NIST

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[409.47; 988.58]	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			-7.02400e+00
Coefficient B			1.78084e+00
Coefficient C			-9.91100e-04
Coefficient D			2.05860e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	409.47	J/mol×K	273.00	Calculated Property
Cp,gas	508.07	J/mol×K	353.78	Calculated Property
Cp,gas	596.59	J/mol×K	434.56	Calculated Property
Cp,gas	675.67	J/mol×K	515.33	Calculated Property
Cp,gas	745.98	J/mol×K	596.11	Calculated Property
Cp,gas	808.15	J/mol×K	676.89	Calculated Property
Cp,gas	862.85	J/mol×K	757.67	Calculated Property
Cp,gas	910.72	J/mol×K	838.44	Calculated Property
Cp,gas	952.41	J/mol×K	919.22	Calculated Property
Cp,gas	988.58	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0042368; 0.0001811]	Pa×s	[331.95; 599.29]	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			-1.25303e+01
Coefficient B			2.34567e+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.			331.95
Temperature range, max.			599.29
η	0.0042368	Pa×s	331.95	Calculated Property
η	0.0023712	Pa×s	361.65	Calculated Property
η	0.0014493	Pa×s	391.36	Calculated Property
η	0.0009496	Pa×s	421.06	Calculated Property
η	0.0006578	Pa×s	450.77	Calculated Property
η	0.0004769	Pa×s	480.47	Calculated Property
η	0.0003589	Pa×s	510.18	Calculated Property
η	0.0002787	Pa×s	539.88	Calculated Property
η	0.0002222	Pa×s	569.59	Calculated Property
η	0.0001811	Pa×s	599.29	Calculated Property

Property	Value	Unit	Temperature (K)	Source
Pvap	[1.33; 202.63]	kPa	[468.28; 661.49]	The Yaws Handbook of Vapor Pressure
Equation			ln(Y) = A + B/(T + C) Y is Pvap in kPa, T in K
Coefficient A			1.45877e+01
Coefficient B			-5.10168e+03
Coefficient C			-1.11522e+02
Temperature range, min.			468.28
Temperature range, max.			661.49
Pvap	1.33	kPa	468.28	Calculated Property
Pvap	3.00	kPa	489.75	Calculated Property
Pvap	6.20	kPa	511.22	Calculated Property
Pvap	11.87	kPa	532.68	Calculated Property
Pvap	21.37	kPa	554.15	Calculated Property
Pvap	36.42	kPa	575.62	Calculated Property
Pvap	59.21	kPa	597.09	Calculated Property
Pvap	92.38	kPa	618.55	Calculated Property
Pvap	139.02	kPa	640.02	Calculated Property
Pvap	202.63	kPa	661.49	Calculated Property

Similar Compounds

Find more compounds similar to 10-Nonadecanone.

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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