Chemical Properties of 5-Decanone (CAS 820-29-1)

InChI

InChI=1S/C10H20O/c1-3-5-7-9-10(11)8-6-4-2/h3-9H2,1-2H3

InChI Key

JDPQWHLMBJZURR-UHFFFAOYSA-N

Formula

C10H20O

SMILES

CCCCCC(=O)CCCC

Molecular Weight¹

156.27

CAS

820-29-1

Other Names

• decan-5-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).
• 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).
• ρ_c : Critical density (kg/m³).
• 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	0.5527		Relay (1.0) Calculated Property
ΔfG°	-95.60	kJ/mol	Joback Calculated Property
ΔfH°gas	-378.91	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	23.25	kJ/mol	Joback Calculated Property
ΔvapH°	56.13	kJ/mol	Relay (1.0) Calculated Property
IE	9.08	eV	Relay (1.0) Calculated Property
log10WS	-3.17		Relay (1.0) Calculated Property
logPoct/wat	3.326		Crippen Calculated Property
McVol	153.330	ml/mol	McGowan Calculated Property
Pc	2235.52	kPa	Joback Calculated Property
ρc	248.46 ± 0.63	kg/m3	NIST
Inp	[1155.00; 1162.00]
Inp	1162.00		NIST
Inp	1155.00		NIST
Inp	1162.00		NIST
Inp	1155.00		NIST
Ip	[1373.00; 1373.00]
Ip	1373.00		NIST
Ip	1373.00		NIST
Tboil	[477.00; 477.00]	K
Tboil	477.00 ± 4.00	K	NIST
Tboil	477.00 ± 3.00	K	NIST
Tc	[661.00; 661.00]	K
Tc	661.00	K	IUPAC Vapor-Liquid Critical Properties of Elements and Compounds, part 7 Compiled value
Tc	661.00 ± 0.40	K	NIST
Tfus	263.90 ± 3.00	K	NIST
Vc	0.628	m3/kmol	IUPAC Vapor-Liquid Critical Properties of Elements and Compounds, part 7 Compiled value

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[218.54; 524.26]	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			1.15700e+00
Coefficient B			9.25840e-01
Coefficient C			-5.01500e-04
Coefficient D			9.87600e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	218.54	J/mol×K	273.00	Calculated Property
Cp,gas	270.30	J/mol×K	353.78	Calculated Property
Cp,gas	316.89	J/mol×K	434.56	Calculated Property
Cp,gas	358.61	J/mol×K	515.33	Calculated Property
Cp,gas	395.77	J/mol×K	596.11	Calculated Property
Cp,gas	428.70	J/mol×K	676.89	Calculated Property
Cp,gas	457.70	J/mol×K	757.67	Calculated Property
Cp,gas	483.08	J/mol×K	838.44	Calculated Property
Cp,gas	505.17	J/mol×K	919.22	Calculated Property
Cp,gas	524.26	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0035029; 0.0003055]	Pa×s	[263.90; 462.70]	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			-1.13314e+01
Coefficient B			1.49823e+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.			263.90
Temperature range, max.			462.70
η	0.0035029	Pa×s	263.90	Calculated Property
η	0.0022594	Pa×s	285.99	Calculated Property
η	0.0015519	Pa×s	308.08	Calculated Property
η	0.0011209	Pa×s	330.17	Calculated Property
η	0.0008433	Pa×s	352.26	Calculated Property
η	0.0006561	Pa×s	374.34	Calculated Property
η	0.0005250	Pa×s	396.43	Calculated Property
η	0.0004300	Pa×s	418.52	Calculated Property
η	0.0003594	Pa×s	440.61	Calculated Property
η	0.0003055	Pa×s	462.70	Calculated Property

Property	Value	Unit	Temperature (K)	Source
Pvap	[1.33; 202.64]	kPa	[359.14; 505.54]	The Yaws Handbook of Vapor Pressure
Equation			ln(Y) = A + B/(T + C) Y is Pvap in kPa, T in K
Coefficient A			1.51042e+01
Coefficient B			-4.22821e+03
Coefficient C			-7.37700e+01
Temperature range, min.			359.14
Temperature range, max.			505.54
Pvap	1.33	kPa	359.14	Calculated Property
Pvap	2.96	kPa	375.41	Calculated Property
Pvap	6.07	kPa	391.67	Calculated Property
Pvap	11.60	kPa	407.94	Calculated Property
Pvap	20.88	kPa	424.21	Calculated Property
Pvap	35.65	kPa	440.47	Calculated Property
Pvap	58.18	kPa	456.74	Calculated Property
Pvap	91.24	kPa	473.01	Calculated Property
Pvap	138.11	kPa	489.27	Calculated Property
Pvap	202.64	kPa	505.54	Calculated Property

Similar Compounds

Find more compounds similar to 5-Decanone.

Sources

• IUPAC Vapor-Liquid Critical Properties of Elements and Compounds, part 7 ChEDL chemicals 1.5.2, from Kudchadker, A. P.; Ambrose, D.; Tsonopoulos, C. Vapor-Liquid Critical Properties of Elements and Compounds. 7. Oxygen Compounds Other Than Alkanols and Cycloalkanols. J. Chem. Eng. Data 2001, 46, 457-479.
• Cheméo Relay (1.0)
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook
• The Yaws Handbook of Vapor Pressure

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