Chemical Properties of 9-Heptadecanone (CAS 540-08-9)

InChI

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

InChI Key

WTJKUFMLQFLJOT-UHFFFAOYSA-N

Formula

C17H34O

SMILES

CCCCCCCCC(=O)CCCCCCCC

Molecular Weight¹

254.45

CAS

540-08-9

Other Names

• Di-n-octyl ketone
• Dioctyl ketone
• Octyl ketone
• Pelargone
• heptadecan-9-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).
• 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.
• 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	0.8027		Relay (1.0) Calculated Property
ΔfG°	-36.66	kJ/mol	Joback Calculated Property
ΔfH°gas	-524.56	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	41.38	kJ/mol	Joback Calculated Property
ΔvapH°	83.92	kJ/mol	Relay (1.0) Calculated Property
IE	9.14	eV	Relay (1.0) Calculated Property
log10WS	-6.30		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	[1846.00; 1866.00]
Inp	1866.00		NIST
Inp	1846.00		NIST
Inp	1846.00		NIST
Inp	1866.00		NIST
Inp	1846.00		NIST
Tboil	524.70	K	NIST
Tc	754.54	K	Relay (1.0) Calculated Property
Tfus	[324.00; 325.65]	K
Tfus	325.65	K	Jean-Claude Bradley Open Melting Point Dataset (2014, CC0) Compiled value
Tfus	324.00 ± 0.10	K	NIST
Vc	0.979	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
ΔfusH	[66.68; 66.68]	kJ/mol	[323.90; 323.90]
ΔfusH	66.68	kJ/mol	323.90	NIST
ΔfusH	66.68	kJ/mol	323.90	NIST
ΔvapH	78.30	kJ/mol	460.50	NIST

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	[0.0037153; 0.0002185]	Pa×s	[324.82; 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.			324.82
Temperature range, max.			566.52
η	0.0037153	Pa×s	324.82	Calculated Property
η	0.0022374	Pa×s	351.68	Calculated Property
η	0.0014479	Pa×s	378.54	Calculated Property
η	0.0009926	Pa×s	405.39	Calculated Property
η	0.0007131	Pa×s	432.25	Calculated Property
η	0.0005326	Pa×s	459.10	Calculated Property
η	0.0004108	Pa×s	485.96	Calculated Property
η	0.0003256	Pa×s	512.81	Calculated Property
η	0.0002641	Pa×s	539.67	Calculated Property
η	0.0002185	Pa×s	566.52	Calculated Property

Property	Value	Unit	Temperature (K)	Source
Pvap	[1.33; 202.66]	kPa	[448.58; 631.96]	The Yaws Handbook of Vapor Pressure
Equation			ln(Y) = A + B/(T + C) Y is Pvap in kPa, T in K
Coefficient A			1.47284e+01
Coefficient B			-4.96373e+03
Coefficient C			-1.04850e+02
Temperature range, min.			448.58
Temperature range, max.			631.96
Pvap	1.33	kPa	448.58	Calculated Property
Pvap	2.99	kPa	468.96	Calculated Property
Pvap	6.16	kPa	489.33	Calculated Property
Pvap	11.80	kPa	509.71	Calculated Property
Pvap	21.23	kPa	530.08	Calculated Property
Pvap	36.20	kPa	550.46	Calculated Property
Pvap	58.92	kPa	570.83	Calculated Property
Pvap	92.07	kPa	591.21	Calculated Property
Pvap	138.78	kPa	611.58	Calculated Property
Pvap	202.66	kPa	631.96	Calculated Property

Similar Compounds

Find more compounds similar to 9-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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