Chemical Properties of 8-Pentadecanone (CAS 818-23-5)

InChI

InChI=1S/C15H30O/c1-3-5-7-9-11-13-15(16)14-12-10-8-6-4-2/h3-14H2,1-2H3

InChI Key

PQYGSSYFJIJDFK-UHFFFAOYSA-N

Formula

C15H30O

SMILES

CCCCCCCC(=O)CCCCCCC

Molecular Weight¹

226.40

CAS

818-23-5

Other Names

• 8-Oxopentadecane
• Caprylone
• Diheptyl ketone
• Heptyl ketone
• Pentadecan-8-one
• di-n-Heptyl ketone
• pentadecane-8-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.
• 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	0.7323		Relay (1.0) Calculated Property
ΔfG°	-53.50	kJ/mol	Joback Calculated Property
ΔfH°gas	-483.09	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	36.20	kJ/mol	Joback Calculated Property
ΔvapH°	75.76	kJ/mol	Relay (1.0) Calculated Property
IE	9.10	eV	Relay (1.0) Calculated Property
log10WS	-5.59		Relay (1.0) Calculated Property
logPoct/wat	5.277		Crippen Calculated Property
McVol	223.780	ml/mol	McGowan Calculated Property
Pc	1485.00	kPa	Joback Calculated Property
Inp	[1647.00; 1659.00]
Inp	1647.00		NIST
Inp	1659.00		NIST
Inp	1647.00		NIST
Inp	1647.00		NIST
Inp	1659.00		NIST
Tboil	548.68	K	Relay (1.0) Calculated Property
Tc	733.52	K	Relay (1.0) Calculated Property
Tfus	[315.15; 316.15]	K
Tfus	316.15	K	Jean-Claude Bradley Open Melting Point Dataset (2014, CC0) Compiled value
Tfus	315.15 ± 1.00	K	NIST
Vc	0.864	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
ΔvapH	[53.00; 65.40]	kJ/mol	[450.00; 517.00]
ΔvapH	61.90	kJ/mol	450.00	NIST
ΔvapH	65.30	kJ/mol	505.50	NIST
ΔvapH	65.40	kJ/mol	516.00	NIST
ΔvapH	53.00	kJ/mol	517.00	NIST

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[324.61; 782.21]	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			-3.38800e+00
Coefficient B			1.40084e+00
Coefficient C			-7.73500e-04
Coefficient D			1.58260e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	324.61	J/mol×K	273.00	Calculated Property
Cp,gas	402.40	J/mol×K	353.78	Calculated Property
Cp,gas	472.28	J/mol×K	434.56	Calculated Property
Cp,gas	534.75	J/mol×K	515.33	Calculated Property
Cp,gas	590.33	J/mol×K	596.11	Calculated Property
Cp,gas	639.51	J/mol×K	676.89	Calculated Property
Cp,gas	682.78	J/mol×K	757.67	Calculated Property
Cp,gas	720.66	J/mol×K	838.44	Calculated Property
Cp,gas	753.63	J/mol×K	919.22	Calculated Property
Cp,gas	782.21	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0032874; 0.0002550]	Pa×s	[315.65; 534.86]	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			-1.19557e+01
Coefficient B			1.96903e+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.			315.65
Temperature range, max.			534.86
η	0.0032874	Pa×s	315.65	Calculated Property
η	0.0021027	Pa×s	340.01	Calculated Property
η	0.0014278	Pa×s	364.36	Calculated Property
η	0.0010177	Pa×s	388.72	Calculated Property
η	0.0007549	Pa×s	413.08	Calculated Property
η	0.0005789	Pa×s	437.43	Calculated Property
η	0.0004566	Pa×s	461.79	Calculated Property
η	0.0003688	Pa×s	486.15	Calculated Property
η	0.0003040	Pa×s	510.50	Calculated Property
η	0.0002550	Pa×s	534.86	Calculated Property

Property	Value	Unit	Temperature (K)	Source
Pvap	[1.33; 202.66]	kPa	[430.10; 599.05]	The Yaws Handbook of Vapor Pressure
Equation			ln(Y) = A + B/(T + C) Y is Pvap in kPa, T in K
Coefficient A			1.51741e+01
Coefficient B			-4.93744e+03
Coefficient C			-9.84280e+01
Temperature range, min.			430.10
Temperature range, max.			599.05
Pvap	1.33	kPa	430.10	Calculated Property
Pvap	2.96	kPa	448.87	Calculated Property
Pvap	6.06	kPa	467.64	Calculated Property
Pvap	11.57	kPa	486.42	Calculated Property
Pvap	20.82	kPa	505.19	Calculated Property
Pvap	35.56	kPa	523.96	Calculated Property
Pvap	58.06	kPa	542.73	Calculated Property
Pvap	91.10	kPa	561.51	Calculated Property
Pvap	138.01	kPa	580.28	Calculated Property
Pvap	202.66	kPa	599.05	Calculated Property

Similar Compounds

Find more compounds similar to 8-Pentadecanone.

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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