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
• Methyl octyl ketone
• Octyl methyl ketone
• n-C8H17COCH3

• 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).
• 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 : 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
ΔfG°	-95.60	kJ/mol	Joback Calculated Property
ΔfH°gas	-362.31	kJ/mol	Joback Calculated Property
ΔfusH°	23.25	kJ/mol	Joback Calculated Property
ΔvapH°	60.90 ± 0.50	kJ/mol	NIST
log10WS	[-3.31; -3.30]
log10WS	-3.31		Aq. Sol...
log10WS	-3.30		Estimat...
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	1191.00		NIST
Inp	1198.00		NIST
Inp	1172.00		NIST
Inp	1184.00		NIST
Inp	1176.00		NIST
Inp	1188.00		NIST
I	[1463.00; 1519.00]
I	1493.00		NIST
I	1480.00		NIST
I	1490.00		NIST
I	1495.00		NIST
I	1493.00		NIST
I	1494.00		NIST
I	1476.00		NIST
I	1497.00		NIST
I	1497.00		NIST
I	1510.00		NIST
I	1496.00		NIST
I	1476.00		NIST
I	1508.00		NIST
I	1498.00		NIST
I	1496.00		NIST
I	1496.00		NIST
I	1497.00		NIST
I	1500.00		NIST
I	1484.00		NIST
I	1495.00		NIST
I	1503.00		NIST
I	1482.00		NIST
I	1491.00		NIST
I	Outlier 1515.00		NIST
I	Outlier 1519.00		NIST
I	1489.00		NIST
I	1482.00		NIST
I	1493.00		NIST
I	1503.00		NIST
I	Outlier 1463.00		NIST
I	1479.00		NIST
I	1480.00		NIST
I	1499.00		NIST
I	1489.00		NIST
I	1489.00		NIST
I	1493.00		NIST
I	1494.00		NIST
I	1476.00		NIST
I	1480.00		NIST
I	1497.00		NIST
I	1489.00		NIST
I	1497.00		NIST
I	1495.00		NIST
I	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 ± 0.50	K	NIST
Tfus	279.82	K	Aq. Sol...
Vc	0.602	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[342.00; 420.12]	J/mol×K	[482.07; 654.85]
Cp,gas	342.00	J/mol×K	482.07	Joback Calculated Property
Cp,gas	356.42	J/mol×K	510.87	Joback Calculated Property
Cp,gas	370.27	J/mol×K	539.66	Joback Calculated Property
Cp,gas	383.54	J/mol×K	568.46	Joback Calculated Property
Cp,gas	396.27	J/mol×K	597.26	Joback Calculated Property
Cp,gas	408.46	J/mol×K	626.06	Joback Calculated Property
Cp,gas	420.12	J/mol×K	654.85	Joback Calculated Property
η	[0.0002683; 0.0045381]	Pa×s	[252.39; 482.07]
η	0.0045381	Pa×s	252.39	Joback Calculated Property
η	0.0020766	Pa×s	290.67	Joback Calculated Property
η	0.0011399	Pa×s	328.95	Joback Calculated Property
η	0.0007090	Pa×s	367.23	Joback Calculated Property
η	0.0004824	Pa×s	405.51	Joback Calculated Property
η	0.0003508	Pa×s	443.79	Joback Calculated Property
η	0.0002683	Pa×s	482.07	Joback Calculated Property
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 ...

Pressure Dependent Properties

Correlations

Property	Value	Unit	Temperature (K)	Source
Pvap	[1.33; 202.64]	kPa	[364.18; 514.40]	The Yaw...
Equation			ln(Pvp) = A + B/(T + C)
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

• 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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