Chemical Properties of 2-Nonadecanone (CAS 629-66-3)

InChI

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

InChI Key

IEDKVDCIEARIIU-UHFFFAOYSA-N

Formula

C19H38O

SMILES

CCCCCCCCCCCCCCCCCC(C)=O

Molecular Weight¹

282.50

CAS

629-66-3

Other Names

• Methyl heptadecyl ketone
• nonadecan-2-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_boilr : Boiling point at reduced pressure (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	0.8912		Relay (1.0) Calculated Property
ΔfG°	-19.82	kJ/mol	Joback Calculated Property
ΔfH°gas	-571.83	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	46.56	kJ/mol	Joback Calculated Property
ΔvapH°	103.02	kJ/mol	Relay (1.0) Calculated Property
IE	9.48	eV	Relay (1.0) Calculated Property
log10WS	-6.90		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	[348.32; 2106.00]
Inp	2090.70		NIST
Inp	2087.10		NIST
Inp	2090.10		NIST
Inp	2066.30		NIST
Inp	2106.00		NIST
Inp	2071.00		NIST
Inp	2101.00		NIST
Inp	2085.00		NIST
Inp	2100.00		NIST
Inp	2071.00		NIST
Inp	Outlier 348.32		NIST
Inp	2106.00		NIST
Inp	2101.00		NIST
Inp	2100.00		NIST
Inp	2071.00		NIST
Inp	2090.70		NIST
Inp	Outlier 348.32		NIST
Tboil	588.80	K	Relay (1.0) Calculated Property
Tc	778.28	K	Relay (1.0) Calculated Property
Tfus	328.00 ± 0.10	K	NIST
Vc	1.104	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
ΔfusH	[68.65; 68.65]	kJ/mol	[328.00; 328.00]
ΔfusH	68.65	kJ/mol	328.00	NIST
ΔfusH	68.65	kJ/mol	328.00	NIST

Pressure Dependent Properties

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	[0.0046131; 0.0001811]	Pa×s	[328.00; 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
Temperature range, min.			328.00
Temperature range, max.			599.29
η	0.0046131	Pa×s	328.00	Calculated Property
η	0.0025269	Pa×s	358.14	Calculated Property
η	0.0015197	Pa×s	388.29	Calculated Property
η	0.0009835	Pa×s	418.43	Calculated Property
η	0.0006748	Pa×s	448.58	Calculated Property
η	0.0004855	Pa×s	478.72	Calculated Property
η	0.0003632	Pa×s	508.86	Calculated Property
η	0.0002806	Pa×s	539.01	Calculated Property
η	0.0002229	Pa×s	569.15	Calculated Property
η	0.0001811	Pa×s	599.29	Calculated Property

Property	Value	Unit	Temperature (K)	Source
Pvap	[1.33; 202.64]	kPa	[470.42; 660.72]	The Yaws Handbook of Vapor Pressure
Equation			ln(Y) = A + B/(T + C) Y is Pvap in kPa, T in K
Coefficient A			1.47620e+01
Coefficient B			-5.18154e+03
Coefficient C			-1.12440e+02
Temperature range, min.			470.42
Temperature range, max.			660.72
Pvap	1.33	kPa	470.42	Calculated Property
Pvap	2.99	kPa	491.56	Calculated Property
Pvap	6.15	kPa	512.71	Calculated Property
Pvap	11.78	kPa	533.85	Calculated Property
Pvap	21.20	kPa	555.00	Calculated Property
Pvap	36.15	kPa	576.14	Calculated Property
Pvap	58.85	kPa	597.29	Calculated Property
Pvap	91.98	kPa	618.43	Calculated Property
Pvap	138.71	kPa	639.58	Calculated Property
Pvap	202.64	kPa	660.72	Calculated Property

Similar Compounds

Find more compounds similar to 2-Nonadecanone.

Sources

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

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