Chemical Properties of 3-Heptadecanone (CAS 84534-29-2)

InChI

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

InChI Key

PXJYBWGEOVYLSM-UHFFFAOYSA-N

Formula

C17H34O

SMILES

CCCCCCCCCCCCCCC(=O)CC

Molecular Weight¹

254.45

CAS

84534-29-2

• 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).
• 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	0.8021		Relay (1.0) Calculated Property
ΔfG°	-36.66	kJ/mol	Joback Calculated Property
ΔfH°gas	-526.65	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	41.38	kJ/mol	Joback Calculated Property
ΔvapH°	88.27	kJ/mol	Relay (1.0) Calculated Property
IE	9.20	eV	Relay (1.0) Calculated Property
log10WS	-6.36		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	[1868.00; 1880.00]
Inp	1880.00		NIST
Inp	1880.00		NIST
Inp	1878.00		NIST
Inp	1868.00		NIST
Inp	1868.00		NIST
Inp	1880.00		NIST
Ip	[2155.00; 2155.00]
Ip	2155.00		NIST
Ip	2155.00		NIST
Tboil	569.29	K	Relay (1.0) Calculated Property
Tc	759.87	K	Relay (1.0) Calculated Property
Tfus	329.91	K	Relay (1.0) Calculated Property
Vc	0.986	m3/kmol	Relay (1.0) Calculated Property

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	[0.0032643; 0.0002185]	Pa×s	[331.28; 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.			331.28
Temperature range, max.			566.52
η	0.0032643	Pa×s	331.28	Calculated Property
η	0.0020275	Pa×s	357.42	Calculated Property
η	0.0013438	Pa×s	383.56	Calculated Property
η	0.0009386	Pa×s	409.69	Calculated Property
η	0.0006844	Pa×s	435.83	Calculated Property
η	0.0005173	Pa×s	461.97	Calculated Property
η	0.0004028	Pa×s	488.11	Calculated Property
η	0.0003218	Pa×s	514.25	Calculated Property
η	0.0002627	Pa×s	540.38	Calculated Property
η	0.0002185	Pa×s	566.52	Calculated Property

Property	Value	Unit	Temperature (K)	Source
Pvap	[1.33; 202.65]	kPa	[449.08; 631.77]	The Yaws Handbook of Vapor Pressure
Equation			ln(Y) = A + B/(T + C) Y is Pvap in kPa, T in K
Coefficient A			1.47776e+01
Coefficient B			-4.98789e+03
Coefficient C			-1.04850e+02
Temperature range, min.			449.08
Temperature range, max.			631.77
Pvap	1.33	kPa	449.08	Calculated Property
Pvap	2.99	kPa	469.38	Calculated Property
Pvap	6.15	kPa	489.68	Calculated Property
Pvap	11.77	kPa	509.98	Calculated Property
Pvap	21.18	kPa	530.28	Calculated Property
Pvap	36.13	kPa	550.57	Calculated Property
Pvap	58.82	kPa	570.87	Calculated Property
Pvap	91.95	kPa	591.17	Calculated Property
Pvap	138.68	kPa	611.47	Calculated Property
Pvap	202.65	kPa	631.77	Calculated Property

Similar Compounds

Find more compounds similar to 3-Heptadecanone.

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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