Chemical Properties of 2-Heptadecanone (CAS 2922-51-2)

InChI

InChI=1S/C17H34O/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17(2)18/h3-16H2,1-2H3

InChI Key

TVTCXPXLRKTHAU-UHFFFAOYSA-N

Formula

C17H34O

SMILES

CCCCCCCCCCCCCCCC(C)=O

Molecular Weight¹

254.45

CAS

2922-51-2

Other Names

• Heptadecan-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_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).
• I_np : Non-polar retention indices.
• I_p : 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	0.8210		Relay (1.0) Calculated Property
ΔfG°	-36.66	kJ/mol	Joback Calculated Property
ΔfH°gas	-530.07	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	41.38	kJ/mol	Joback Calculated Property
ΔvapH°	93.70	kJ/mol	Relay (1.0) Calculated Property
IE	9.41	eV	Relay (1.0) Calculated Property
log10WS	-6.27		Relay (1.0) Calculated Property
logPoct/wat	6.057		Crippen Calculated Property
McVol	251.960	ml/mol	McGowan Calculated Property
Pc	1287.44	kPa	Joback Calculated Property
Inp	[317.70; 1910.00]
Inp	1891.10		NIST
Inp	1886.80		NIST
Inp	1887.50		NIST
Inp	1883.00		NIST
Inp	1890.00		NIST
Inp	1882.00		NIST
Inp	1881.00		NIST
Inp	1883.00		NIST
Inp	1889.00		NIST
Inp	1885.00		NIST
Inp	1889.00		NIST
Inp	1900.00		NIST
Inp	1902.00		NIST
Inp	1875.00		NIST
Inp	1901.00		NIST
Inp	1878.00		NIST
Inp	1902.00		NIST
Inp	1890.00		NIST
Inp	1906.00		NIST
Inp	1871.00		NIST
Inp	1899.00		NIST
Inp	1910.00		NIST
Inp	1892.00		NIST
Inp	1887.00		NIST
Inp	1906.00		NIST
Inp	1883.00		NIST
Inp	1875.00		NIST
Inp	1884.00		NIST
Inp	1881.00		NIST
Inp	1891.00		NIST
Inp	1906.00		NIST
Inp	1892.00		NIST
Inp	1897.00		NIST
Inp	1909.00		NIST
Inp	1876.00		NIST
Inp	1910.00		NIST
Inp	1910.00		NIST
Inp	Outlier 317.70		NIST
Inp	1900.00		NIST
Inp	1902.00		NIST
Inp	1891.10		NIST
Inp	1906.00		NIST
Inp	1910.00		NIST
Inp	1899.00		NIST
Inp	1883.00		NIST
Inp	1871.00		NIST
Inp	1889.00		NIST
Inp	Outlier 317.70		NIST
Ip	[2196.00; 2255.00]
Ip	2231.00		NIST
Ip	2220.00		NIST
Ip	2218.00		NIST
Ip	2243.00		NIST
Ip	2255.00		NIST
Ip	2245.00		NIST
Ip	2245.00		NIST
Ip	Outlier 2196.00		NIST
Ip	2231.00		NIST
Ip	2245.00		NIST
Tboil	575.08	K	Relay (1.0) Calculated Property
Tc	761.67	K	Relay (1.0) Calculated Property
Tfus	321.15	K	Jean-Claude Bradley Open Melting Point Dataset (2014, CC0) Compiled value
Vc	0.990	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[367.04; 885.39]	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			-5.20600e+00
Coefficient B			1.59084e+00
Coefficient C			-8.82300e-04
Coefficient D			1.82060e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	367.04	J/mol×K	273.00	Calculated Property
Cp,gas	455.23	J/mol×K	353.78	Calculated Property
Cp,gas	534.43	J/mol×K	434.56	Calculated Property
Cp,gas	605.21	J/mol×K	515.33	Calculated Property
Cp,gas	668.15	J/mol×K	596.11	Calculated Property
Cp,gas	723.83	J/mol×K	676.89	Calculated Property
Cp,gas	772.81	J/mol×K	757.67	Calculated Property
Cp,gas	815.69	J/mol×K	838.44	Calculated Property
Cp,gas	853.02	J/mol×K	919.22	Calculated Property
Cp,gas	885.39	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0040087; 0.0002185]	Pa×s	[321.15; 566.52]	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			-1.22369e+01
Coefficient B			2.15735e+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.			321.15
Temperature range, max.			566.52
η	0.0040087	Pa×s	321.15	Calculated Property
η	0.0023698	Pa×s	348.41	Calculated Property
η	0.0015120	Pa×s	375.68	Calculated Property
η	0.0010252	Pa×s	402.94	Calculated Property
η	0.0007302	Pa×s	430.20	Calculated Property
η	0.0005416	Pa×s	457.47	Calculated Property
η	0.0004154	Pa×s	484.73	Calculated Property
η	0.0003278	Pa×s	511.99	Calculated Property
η	0.0002649	Pa×s	539.26	Calculated Property
η	0.0002185	Pa×s	566.52	Calculated Property

Property	Value	Unit	Temperature (K)	Source
Pvap	[1.33; 202.66]	kPa	[451.22; 631.01]	The Yaws Handbook of Vapor Pressure
Equation			ln(Y) = A + B/(T + C) Y is Pvap in kPa, T in K
Coefficient A			1.49646e+01
Coefficient B			-5.07019e+03
Coefficient C			-1.05768e+02
Temperature range, min.			451.22
Temperature range, max.			631.01
Pvap	1.33	kPa	451.22	Calculated Property
Pvap	2.97	kPa	471.20	Calculated Property
Pvap	6.10	kPa	491.17	Calculated Property
Pvap	11.67	kPa	511.15	Calculated Property
Pvap	21.01	kPa	531.13	Calculated Property
Pvap	35.85	kPa	551.10	Calculated Property
Pvap	58.45	kPa	571.08	Calculated Property
Pvap	91.54	kPa	591.06	Calculated Property
Pvap	138.36	kPa	611.03	Calculated Property
Pvap	202.66	kPa	631.01	Calculated Property

Similar Compounds

Find more compounds similar to 2-Heptadecanone.

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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