Chemical Properties of 2-Nonanone (CAS 821-55-6)

InChI

InChI=1S/C9H18O/c1-3-4-5-6-7-8-9(2)10/h3-8H2,1-2H3

InChI Key

VKCYHJWLYTUGCC-UHFFFAOYSA-N

Formula

C9H18O

SMILES

CCCCCCCC(C)=O

Molecular Weight¹

142.24

CAS

821-55-6

Other Names

• Ketone, heptyl methyl
• METHYL-N-HEPTYL KETONE
• Methyl n-heptyl ketone
• NONANONE-2
• Nonan-2-one
• heptyl methyl ketone
• methyl heptyl ketone
• n-C7H15COCH3
• «beta»-Nonanone

• ω : Acentric Factor.
• Δ_cH°_liquid : Standard liquid enthalpy of combustion (kJ/mol).
• 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_fH°_liquid : Liquid phase 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 : 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	0.5347		Relay (1.0) Calculated Property
ΔcH°liquid	-5716.80 ± 1.20	kJ/mol	NIST
ΔfG°	-104.02	kJ/mol	Joback Calculated Property
ΔfH°gas	-340.80 ± 1.70	kJ/mol	NIST
ΔfH°liquid	-397.20 ± 1.70	kJ/mol	NIST
ΔfusH°	27.35	kJ/mol	Measurements, Correlations, and Mod. UNIFAC (Do) Prediction of (Solid-Liquid) Phase Equilibria Diagrams in Binary Systems (Aliphatic Ketone + an Alcohol)
ΔvapH°	56.44 ± 0.06	kJ/mol	NIST
IE	[9.16; 9.38]	eV
IE	9.16	eV	NIST
IE	9.32 ± 0.02	eV	NIST
IE	9.38	eV	NIST
log10WS	[-2.58; -2.58]
log10WS	-2.58		Aq. Solubility Prediction
log10WS	-2.58		Estimated Solubility
logPoct/wat	2.936		Crippen Calculated Property
McVol	139.240	ml/mol	McGowan Calculated Property
Pc	2482.00 ± 10.00	kPa	NIST
ρc	254.61 ± 3.56	kg/m3	NIST
Inp	[180.86; 1104.00]
Inp	1059.00		NIST
Inp	1069.76		NIST
Inp	1076.02		NIST
Inp	1078.68		NIST
Inp	1090.28		NIST
Inp	1093.07		NIST
Inp	1094.79		NIST
Inp	1093.10		NIST
Inp	1073.40		NIST
Inp	1079.80		NIST
Inp	1094.30		NIST
Inp	1095.20		NIST
Inp	1096.80		NIST
Inp	1052.00		NIST
Inp	1067.00		NIST
Inp	1047.00		NIST
Inp	1055.00		NIST
Inp	1091.00		NIST
Inp	1091.00		NIST
Inp	1091.00		NIST
Inp	1091.00		NIST
Inp	1091.00		NIST
Inp	1099.10		NIST
Inp	1073.00		NIST
Inp	1076.00		NIST
Inp	1078.00		NIST
Inp	1079.00		NIST
Inp	1091.00		NIST
Inp	1096.00		NIST
Inp	1092.00		NIST
Inp	1092.00		NIST
Inp	1091.00		NIST
Inp	1093.00		NIST
Inp	1096.00		NIST
Inp	1089.00		NIST
Inp	1070.00		NIST
Inp	1074.00		NIST
Inp	1093.00		NIST
Inp	1093.00		NIST
Inp	1093.00		NIST
Inp	1099.00		NIST
Inp	1091.00		NIST
Inp	1094.00		NIST
Inp	1070.00		NIST
Inp	1091.00		NIST
Inp	1098.00		NIST
Inp	1096.00		NIST
Inp	1068.40		NIST
Inp	1089.60		NIST
Inp	1103.00		NIST
Inp	1070.00		NIST
Inp	1090.00		NIST
Inp	1070.00		NIST
Inp	1075.00		NIST
Inp	1077.00		NIST
Inp	1091.00		NIST
Inp	1092.00		NIST
Inp	1091.00		NIST
Inp	1093.00		NIST
Inp	1095.00		NIST
Inp	1080.00		NIST
Inp	1078.00		NIST
Inp	1091.00		NIST
Inp	1091.00		NIST
Inp	1093.00		NIST
Inp	1073.00		NIST
Inp	1074.00		NIST
Inp	1069.00		NIST
Inp	1069.00		NIST
Inp	1064.00		NIST
Inp	1093.00		NIST
Inp	1093.00		NIST
Inp	1069.00		NIST
Inp	1075.00		NIST
Inp	1067.00		NIST
Inp	1070.00		NIST
Inp	1062.00		NIST
Inp	1090.00		NIST
Inp	1073.00		NIST
Inp	1051.00		NIST
Inp	1052.00		NIST
Inp	1054.00		NIST
Inp	1083.00		NIST
Inp	1095.00		NIST
Inp	1074.00		NIST
Inp	1046.00		NIST
Inp	1091.00		NIST
Inp	1094.00		NIST
Inp	1069.00		NIST
Inp	1091.00		NIST
Inp	1093.00		NIST
Inp	1098.00		NIST
Inp	1095.00		NIST
Inp	1095.00		NIST
Inp	1071.00		NIST
Inp	1069.00		NIST
Inp	1070.00		NIST
Inp	1071.00		NIST
Inp	1072.00		NIST
Inp	1074.00		NIST
Inp	1070.00		NIST
Inp	1069.00		NIST
Inp	1076.00		NIST
Inp	1070.00		NIST
Inp	1070.00		NIST
Inp	1090.00		NIST
Inp	1092.00		NIST
Inp	1093.00		NIST
Inp	1095.00		NIST
Inp	1077.00		NIST
Inp	1089.00		NIST
Inp	1073.00		NIST
Inp	1101.00		NIST
Inp	1070.00		NIST
Inp	1093.00		NIST
Inp	1093.00		NIST
Inp	1070.00		NIST
Inp	1078.00		NIST
Inp	1066.00		NIST
Inp	1095.00		NIST
Inp	1092.00		NIST
Inp	1091.00		NIST
Inp	1090.00		NIST
Inp	1091.00		NIST
Inp	1095.00		NIST
Inp	1099.00		NIST
Inp	1093.00		NIST
Inp	1090.00		NIST
Inp	1090.00		NIST
Inp	1091.00		NIST
Inp	1091.00		NIST
Inp	1068.00		NIST
Inp	1075.00		NIST
Inp	1094.00		NIST
Inp	1071.00		NIST
Inp	1070.00		NIST
Inp	1097.00		NIST
Inp	1094.00		NIST
Inp	1092.40		NIST
Inp	1088.00		NIST
Inp	1093.00		NIST
Inp	1092.00		NIST
Inp	1093.00		NIST
Inp	1088.00		NIST
Inp	1093.00		NIST
Inp	1066.00		NIST
Inp	1090.00		NIST
Inp	1092.00		NIST
Inp	1075.00		NIST
Inp	1083.00		NIST
Inp	1083.00		NIST
Inp	1093.00		NIST
Inp	1093.00		NIST
Inp	1090.00		NIST
Inp	1093.00		NIST
Inp	1094.00		NIST
Inp	1094.00		NIST
Inp	1094.00		NIST
Inp	1093.00		NIST
Inp	1068.00		NIST
Inp	1097.00		NIST
Inp	1093.00		NIST
Inp	1093.00		NIST
Inp	1070.00		NIST
Inp	1070.00		NIST
Inp	1069.00		NIST
Inp	1070.00		NIST
Inp	1094.00		NIST
Inp	1093.00		NIST
Inp	1095.00		NIST
Inp	1067.00		NIST
Inp	1085.00		NIST
Inp	1093.00		NIST
Inp	1070.00		NIST
Inp	1069.00		NIST
Inp	1049.00		NIST
Inp	1069.00		NIST
Inp	1072.00		NIST
Inp	1070.00		NIST
Inp	1068.00		NIST
Inp	1090.00		NIST
Inp	1072.00		NIST
Inp	1073.00		NIST
Inp	1073.00		NIST
Inp	1104.00		NIST
Inp	1092.00		NIST
Inp	1095.00		NIST
Inp	1093.00		NIST
Inp	1064.00		NIST
Inp	1090.00		NIST
Inp	1090.00		NIST
Inp	1093.00		NIST
Inp	1090.00		NIST
Inp	1069.00		NIST
Inp	1091.00		NIST
Inp	1090.00		NIST
Inp	1100.00		NIST
Inp	1098.00		NIST
Inp	1093.00		NIST
Inp	1063.00		NIST
Inp	1093.00		NIST
Inp	1094.00		NIST
Inp	1094.00		NIST
Inp	1093.00		NIST
Inp	1087.00		NIST
Inp	1091.00		NIST
Inp	1093.00		NIST
Inp	1047.00		NIST
Inp	1079.00		NIST
Inp	1091.00		NIST
Inp	1092.00		NIST
Inp	1091.00		NIST
Inp	1090.00		NIST
Inp	1090.00		NIST
Inp	1091.00		NIST
Inp	1091.00		NIST
Inp	1058.00		NIST
Inp	1094.00		NIST
Inp	1093.00		NIST
Inp	1104.00		NIST
Inp	1102.00		NIST
Inp	1093.00		NIST
Inp	1087.00		NIST
Inp	1091.00		NIST
Inp	1080.00		NIST
Inp	1070.00		NIST
Inp	1094.00		NIST
Inp	1094.00		NIST
Inp	1074.00		NIST
Inp	1093.00		NIST
Inp	1091.00		NIST
Inp	1091.00		NIST
Inp	1069.00		NIST
Inp	1093.00		NIST
Inp	1092.00		NIST
Inp	1070.00		NIST
Inp	1047.00		NIST
Inp	1096.00		NIST
Inp	1093.00		NIST
Inp	1094.00		NIST
Inp	1072.00		NIST
Inp	1092.00		NIST
Inp	1072.00		NIST
Inp	1080.00		NIST
Inp	1070.00		NIST
Inp	1093.00		NIST
Inp	1093.00		NIST
Inp	Outlier 180.86		NIST
Inp	1083.00		NIST
Inp	1094.00		NIST
Inp	1095.00		NIST
Inp	1073.00		NIST
Inp	1093.00		NIST
Inp	1090.00		NIST
Inp	1098.00		NIST
Inp	1047.00		NIST
Inp	1087.00		NIST
Inp	1069.00		NIST
Inp	1096.00		NIST
Inp	1072.00		NIST
Inp	1070.00		NIST
Inp	1066.00		NIST
Inp	1091.00		NIST
Inp	1092.40		NIST
Inp	1088.00		NIST
Inp	1075.00		NIST
I	[1342.00; 1420.00]
I	1367.90		NIST
I	1380.00		NIST
I	1385.70		NIST
I	1397.00		NIST
I	1386.00		NIST
I	1385.00		NIST
I	1386.00		NIST
I	1390.00		NIST
I	1379.00		NIST
I	1387.00		NIST
I	1382.00		NIST
I	1379.00		NIST
I	1391.00		NIST
I	1385.00		NIST
I	1381.00		NIST
I	1380.00		NIST
I	1413.00		NIST
I	1415.00		NIST
I	1374.00		NIST
I	1382.00		NIST
I	1386.00		NIST
I	1380.00		NIST
I	1398.00		NIST
I	1393.00		NIST
I	1386.00		NIST
I	1393.00		NIST
I	1379.00		NIST
I	1389.00		NIST
I	1374.00		NIST
I	1394.00		NIST
I	1403.00		NIST
I	1394.00		NIST
I	1389.00		NIST
I	1393.00		NIST
I	1393.00		NIST
I	1391.00		NIST
I	1384.00		NIST
I	1391.00		NIST
I	Outlier 1342.00		NIST
I	Outlier 1347.00		NIST
I	Outlier 1347.00		NIST
I	1377.00		NIST
I	1394.00		NIST
I	1396.00		NIST
I	1380.00		NIST
I	1370.00		NIST
I	1382.00		NIST
I	1394.00		NIST
I	1394.00		NIST
I	1392.00		NIST
I	1394.00		NIST
I	1374.00		NIST
I	1413.00		NIST
I	1390.00		NIST
I	1395.00		NIST
I	1379.00		NIST
I	1394.00		NIST
I	1391.00		NIST
I	1393.00		NIST
I	1392.00		NIST
I	1402.00		NIST
I	1366.00		NIST
I	1388.00		NIST
I	1385.00		NIST
I	1380.00		NIST
I	1392.00		NIST
I	1392.00		NIST
I	1392.00		NIST
I	1389.00		NIST
I	1391.00		NIST
I	1393.00		NIST
I	1398.00		NIST
I	1412.00		NIST
I	1417.00		NIST
I	1405.00		NIST
I	1415.00		NIST
I	1379.00		NIST
I	Outlier 1350.00		NIST
I	1380.00		NIST
I	1388.00		NIST
I	1388.00		NIST
I	1388.00		NIST
I	Outlier 1420.00		NIST
I	1372.00		NIST
I	1383.00		NIST
I	1397.00		NIST
I	1405.00		NIST
I	1405.00		NIST
I	1401.00		NIST
I	1381.00		NIST
I	1389.00		NIST
I	1405.00		NIST
I	1366.00		NIST
I	1373.00		NIST
I	Outlier 1420.00		NIST
I	1397.00		NIST
I	1401.00		NIST
I	1384.00		NIST
I	1390.00		NIST
I	1386.00		NIST
I	1389.00		NIST
I	1390.00		NIST
I	1398.00		NIST
I	1366.00		NIST
I	1392.00		NIST
I	1394.00		NIST
I	1392.00		NIST
I	1388.00		NIST
I	1392.00		NIST
I	1398.00		NIST
I	1398.00		NIST
I	1374.00		NIST
I	1398.00		NIST
I	1398.00		NIST
I	1377.00		NIST
I	Outlier 1420.00		NIST
I	1402.00		NIST
I	1395.00		NIST
I	1396.00		NIST
I	1387.00		NIST
I	1396.00		NIST
I	Outlier 1420.00		NIST
I	1367.90		NIST
I	1390.00		NIST
I	1391.00		NIST
I	1415.00		NIST
I	1398.00		NIST
I	1389.00		NIST
I	1394.00		NIST
Tboil	[461.65; 473.15]	K
Tboil	468.50	K	NIST
Tboil	468.15 ± 2.00	K	NIST
Tboil	467.15 ± 2.00	K	NIST
Tboil	467.55 ± 2.00	K	NIST
Tboil	Outlier 461.65 ± 2.00	K	NIST
Tboil	467.15 ± 2.00	K	NIST
Tboil	Outlier 473.15 ± 2.00	K	NIST
Tboil	468.45 ± 2.00	K	NIST
Tboil	468.15 ± 2.00	K	NIST
Tboil	464.65 ± 2.00	K	NIST
Tboil	468.15 ± 2.00	K	NIST
Tc	[651.90; 652.50]	K
Tc	651.90 ± 0.20	K	NIST
Tc	652.50 ± 0.25	K	NIST
Tfus	[205.90; 262.98]	K
Tfus	262.98	K	Aq. Solubility Prediction
Tfus	205.90 ± 0.40	K	NIST
Vc	0.535	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[297.81; 371.09]	J/mol×K	[459.39; 633.59]
Cp,gas	297.81	J/mol×K	459.39	Joback Calculated Property
Cp,gas	311.33	J/mol×K	488.42	Joback Calculated Property
Cp,gas	324.31	J/mol×K	517.46	Joback Calculated Property
Cp,gas	336.76	J/mol×K	546.49	Joback Calculated Property
Cp,gas	348.70	J/mol×K	575.52	Joback Calculated Property
Cp,gas	360.14	J/mol×K	604.56	Joback Calculated Property
Cp,gas	371.09	J/mol×K	633.59	Joback Calculated Property
η	[0.0002830; 0.0045015]	Pa×s	[241.12; 459.39]
η	0.0045015	Pa×s	241.12	Joback Calculated Property
η	0.0020981	Pa×s	277.50	Joback Calculated Property
η	0.0011672	Pa×s	313.88	Joback Calculated Property
η	0.0007334	Pa×s	350.25	Joback Calculated Property
η	0.0005030	Pa×s	386.63	Joback Calculated Property
η	0.0003681	Pa×s	423.01	Joback Calculated Property
η	0.0002830	Pa×s	459.39	Joback Calculated Property

Pressure Dependent Properties

Correlations

Property	Value	Unit	Temperature (K)	Source
Pvap	[1.33; 202.63]	kPa	[351.22; 496.37]	The Yaws Handbook of Vapor Pressure
Equation			ln(Pvp) = A + B/(T + C)
Coefficient A			1.50095e+01
Coefficient B			-4.12511e+03
Coefficient C			-7.10180e+01
Temperature range, min.			351.22
Temperature range, max.			496.37
Pvap	1.33	kPa	351.22	Calculated Property
Pvap	2.97	kPa	367.35	Calculated Property
Pvap	6.09	kPa	383.48	Calculated Property
Pvap	11.65	kPa	399.60	Calculated Property
Pvap	20.96	kPa	415.73	Calculated Property
Pvap	35.79	kPa	431.86	Calculated Property
Pvap	58.36	kPa	447.99	Calculated Property
Pvap	91.43	kPa	464.11	Calculated Property
Pvap	138.27	kPa	480.24	Calculated Property
Pvap	202.63	kPa	496.37	Calculated Property
Pvap	[0.66; 105.02]	kPa	[335.15; 468.15]	KDB Vapor Pressure Data
Equation			ln(Pvp) = A + B/T + C*ln(T) + D*T^2
Coefficient A			1.28514e+02
Coefficient B			-1.12636e+04
Coefficient C			-1.65872e+01
Coefficient D			9.99868e-06
Temperature range, min.			335.15
Temperature range, max.			468.15
Pvap	0.66	kPa	335.15	Calculated Property
Pvap	1.47	kPa	349.93	Calculated Property
Pvap	3.04	kPa	364.71	Calculated Property
Pvap	5.84	kPa	379.48	Calculated Property
Pvap	10.56	kPa	394.26	Calculated Property
Pvap	18.13	kPa	409.04	Calculated Property
Pvap	29.73	kPa	423.82	Calculated Property
Pvap	46.83	kPa	438.59	Calculated Property
Pvap	71.22	kPa	453.37	Calculated Property
Pvap	105.02	kPa	468.15	Calculated Property

Similar Compounds

Find more compounds similar to 2-Nonanone.

Mixtures

• 2-Nonanone + Water
• 2-Nonanone + 1-Octanol
• 2-Nonanone + 1-Decanol
• 2-Nonanone + 1-Dodecanol

Sources

• KDB Vapor Pressure Data
• Cheméo Relay (1.0)
• Crippen Method
• Solubility of fragrance raw materials in water: Experimental study, correlations, and Mod. UNIFAC (Do) predictions
• Improving the method of solution calorimetry for evaluation of the enthalpies of phase transitions and condensed state enthalpies of formation
• Examination of hydrogen-bonding interactions between dissolved solutes and alkylbenzene solvents based on Abraham model correlations derived from measured enthalpies of solvation
• Effect of halogen substitution on the enthalpies of solvation and hydrogen bonding of organic solutes in chlorobenzene and 1,2-dichlorobenzene derived using multi-parameter correlations
• Measurements, Correlations, and Mod. UNIFAC (Do) Prediction of (Solid-Liquid) Phase Equilibria Diagrams in Binary Systems (Aliphatic Ketone + an Alcohol)
• Joback Method
• KDB
• Aqueous Solubility Prediction Method
• Estimated Solubility Method
• McGowan Method
• NIST Webbook
• The Yaws Handbook of Vapor Pressure

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