Chemical Properties of 2-Decanone (CAS 693-54-9)

InChI

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

InChI Key

ZAJNGDIORYACQU-UHFFFAOYSA-N

Formula

C10H20O

SMILES

CCCCCCCCC(C)=O

Molecular Weight¹

156.27

CAS

693-54-9

Other Names

• Decan-2-one
• Methyl n-octyl ketone
• Octyl methyl ketone
• methyl octyl ketone
• n-C8H17COCH3

• 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).
• ρ_c : Critical density (kg/m³).
• ρ_l : Liquid Density (kg/m³).
• I_np : Non-polar retention indices.
• I_p : Polar retention indices.
• T_boil : Normal Boiling Point Temperature (K).
• T_boilr : Boiling point at reduced pressure (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	0.5730		Relay (1.0) Calculated Property
ΔfG°	-95.60	kJ/mol	Joback Calculated Property
ΔfH°gas	-380.21	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	23.25	kJ/mol	Joback Calculated Property
ΔvapH°	60.90 ± 0.50	kJ/mol	NIST
IE	9.24	eV	Relay (1.0) Calculated Property
log10WS	[-3.31; -3.30]
log10WS	-3.31		Aq. Solubility Prediction
log10WS	-3.30		Estimated Solubility
logPoct/wat	3.326		Crippen Calculated Property
McVol	153.330	ml/mol	McGowan Calculated Property
Pc	2235.52	kPa	Joback Calculated Property
ρc	250.02 ± 0.63	kg/m3	NIST
Inp	[1148.00; 1201.00]
Inp	1169.70		NIST
Inp	1169.30		NIST
Inp	1190.90		NIST
Inp	1190.00		NIST
Inp	1174.90		NIST
Inp	1178.60		NIST
Inp	1182.00		NIST
Inp	Outlier 1148.00		NIST
Inp	Outlier 1154.00		NIST
Inp	1172.00		NIST
Inp	1173.00		NIST
Inp	1177.00		NIST
Inp	1180.00		NIST
Inp	1184.00		NIST
Inp	1184.00		NIST
Inp	1191.00		NIST
Inp	1176.00		NIST
Inp	1192.00		NIST
Inp	1194.00		NIST
Inp	1170.40		NIST
Inp	1193.70		NIST
Inp	1193.00		NIST
Inp	1192.00		NIST
Inp	1171.10		NIST
Inp	1192.70		NIST
Inp	1179.00		NIST
Inp	1192.00		NIST
Inp	1171.00		NIST
Inp	1168.00		NIST
Inp	1172.00		NIST
Inp	1174.00		NIST
Inp	Outlier 1153.00		NIST
Inp	1156.00		NIST
Inp	1158.00		NIST
Inp	1191.00		NIST
Inp	1196.00		NIST
Inp	1194.00		NIST
Inp	1175.00		NIST
Inp	1191.00		NIST
Inp	1198.00		NIST
Inp	1167.00		NIST
Inp	1198.00		NIST
Inp	1172.00		NIST
Inp	1169.00		NIST
Inp	1176.00		NIST
Inp	1193.00		NIST
Inp	1194.00		NIST
Inp	1194.00		NIST
Inp	1195.00		NIST
Inp	1191.00		NIST
Inp	1193.00		NIST
Inp	1194.00		NIST
Inp	1172.00		NIST
Inp	1177.00		NIST
Inp	1188.00		NIST
Inp	1191.00		NIST
Inp	1191.00		NIST
Inp	1194.00		NIST
Inp	1175.00		NIST
Inp	1172.00		NIST
Inp	1180.00		NIST
Inp	1193.00		NIST
Inp	1169.00		NIST
Inp	1189.00		NIST
Inp	1176.00		NIST
Inp	1163.00		NIST
Inp	1171.00		NIST
Inp	1159.00		NIST
Inp	1174.00		NIST
Inp	1176.00		NIST
Inp	1193.00		NIST
Inp	1170.00		NIST
Inp	1190.00		NIST
Inp	1193.00		NIST
Inp	1190.00		NIST
Inp	1198.00		NIST
Inp	1198.00		NIST
Inp	1192.00		NIST
Inp	1201.00		NIST
Inp	Outlier 1148.00		NIST
Inp	1195.00		NIST
Inp	1194.00		NIST
Inp	1192.00		NIST
Inp	1193.00		NIST
Inp	1194.00		NIST
Inp	1176.00		NIST
Inp	1169.00		NIST
Inp	Outlier 1148.00		NIST
Inp	1193.00		NIST
Inp	1172.00		NIST
Inp	1193.00		NIST
Inp	1173.00		NIST
Inp	1172.00		NIST
Inp	1184.00		NIST
Inp	1191.00		NIST
Inp	1198.00		NIST
Inp	1176.00		NIST
Inp	1188.00		NIST
Ip	[1463.00; 1519.00]
Ip	1493.00		NIST
Ip	1480.00		NIST
Ip	1490.00		NIST
Ip	1495.00		NIST
Ip	1493.00		NIST
Ip	1494.00		NIST
Ip	1476.00		NIST
Ip	1497.00		NIST
Ip	1497.00		NIST
Ip	1510.00		NIST
Ip	1496.00		NIST
Ip	1476.00		NIST
Ip	1508.00		NIST
Ip	1498.00		NIST
Ip	1496.00		NIST
Ip	1496.00		NIST
Ip	1497.00		NIST
Ip	1500.00		NIST
Ip	1484.00		NIST
Ip	1495.00		NIST
Ip	1503.00		NIST
Ip	1482.00		NIST
Ip	1491.00		NIST
Ip	Outlier 1515.00		NIST
Ip	Outlier 1519.00		NIST
Ip	1489.00		NIST
Ip	1482.00		NIST
Ip	1493.00		NIST
Ip	1503.00		NIST
Ip	Outlier 1463.00		NIST
Ip	1479.00		NIST
Ip	1480.00		NIST
Ip	1499.00		NIST
Ip	1489.00		NIST
Ip	1489.00		NIST
Ip	1493.00		NIST
Ip	1494.00		NIST
Ip	1476.00		NIST
Ip	1480.00		NIST
Ip	1497.00		NIST
Ip	1489.00		NIST
Ip	1497.00		NIST
Ip	1495.00		NIST
Ip	1498.00		NIST
Tboil	[483.15; 488.00]	K
Tboil	484.20	K	NIST
Tboil	483.15 ± 2.00	K	NIST
Tboil	488.00 ± 5.00	K	NIST
Tboil	483.15 ± 2.00	K	NIST
Tboil	484.15 ± 2.00	K	NIST
Tboil	487.65 ± 1.00	K	NIST
Tc	[671.80; 671.80]	K
Tc	671.80	K	IUPAC Vapor-Liquid Critical Properties of Elements and Compounds, part 7 Compiled value
Tc	671.80 ± 0.50	K	NIST
Tfus	[276.15; 279.82]	K
Tfus	276.15	K	Jean-Claude Bradley Open Melting Point Dataset (2014, CC0) Compiled value
Tfus	279.82	K	Aq. Solubility Prediction
Vc	0.625	m3/kmol	IUPAC Vapor-Liquid Critical Properties of Elements and Compounds, part 7 Compiled value

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
ΔvapH	[44.60; 55.10]	kJ/mol	[400.50; 463.00]
ΔvapH	51.70	kJ/mol	400.50	NIST
ΔvapH	55.10	kJ/mol	458.50	NIST
ΔvapH	44.60	kJ/mol	463.00	NIST
ρl	820.63	kg/m3	298.15	Excess molar enthalpies of binary mixtures containing 2-decanone or dipentyl ether with long-chain n-alkanes at T = 298.15 K

Pressure Dependent Properties

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	[0.0026273; 0.0002900]	Pa×s	[277.99; 470.26]	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.			277.99
Temperature range, max.			470.26
η	0.0026273	Pa×s	277.99	Calculated Property
η	0.0017884	Pa×s	299.35	Calculated Property
η	0.0012813	Pa×s	320.71	Calculated Property
η	0.0009571	Pa×s	342.08	Calculated Property
η	0.0007398	Pa×s	363.44	Calculated Property
η	0.0005885	Pa×s	384.80	Calculated Property
η	0.0004795	Pa×s	406.17	Calculated Property
η	0.0003988	Pa×s	427.53	Calculated Property
η	0.0003375	Pa×s	448.90	Calculated Property
η	0.0002900	Pa×s	470.26	Calculated Property

Property	Value	Unit	Temperature (K)	Source
Pvap	[1.33; 202.64]	kPa	[364.18; 514.40]	The Yaws Handbook of Vapor Pressure
Equation			ln(Y) = A + B/(T + C) Y is Pvap in kPa, T in K
Coefficient A			1.49652e+01
Coefficient B			-4.23681e+03
Coefficient C			-7.55210e+01
Temperature range, min.			364.18
Temperature range, max.			514.40
Pvap	1.33	kPa	364.18	Calculated Property
Pvap	2.97	kPa	380.87	Calculated Property
Pvap	6.10	kPa	397.56	Calculated Property
Pvap	11.67	kPa	414.25	Calculated Property
Pvap	21.00	kPa	430.94	Calculated Property
Pvap	35.85	kPa	447.64	Calculated Property
Pvap	58.45	kPa	464.33	Calculated Property
Pvap	91.53	kPa	481.02	Calculated Property
Pvap	138.35	kPa	497.71	Calculated Property
Pvap	202.64	kPa	514.40	Calculated Property

Similar Compounds

Find more compounds similar to 2-Decanone.

Mixtures

• 2-Decanone + Dodecane
• 2-Decanone + Tetradecane
• Hexadecane + 2-Decanone

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).
• 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
• Excess molar enthalpies of binary mixtures containing 2-decanone or dipentyl ether with long-chain n-alkanes at T = 298.15 K
• Joback Method
• Aqueous Solubility Prediction Method
• Estimated Solubility Method
• McGowan Method
• NIST Webbook
• The Yaws Handbook of Vapor Pressure

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