Chemical Properties of 3-Hexanone (CAS 589-38-8)

InChI

InChI=1S/C6H12O/c1-3-5-6(7)4-2/h3-5H2,1-2H3

InChI Key

PFCHFHIRKBAQGU-UHFFFAOYSA-N

Formula

C6H12O

SMILES

CCCC(=O)CC

Molecular Weight¹

100.16

CAS

589-38-8

Other Names

• Aethylpropylketon
• Ethyl n-propyl ketone
• Hexan-3-one
• Hexanone-(3)
• ethyl propyl ketone
• n-C3H7COC2H5

• ω : Acentric Factor.
• PAff : Proton affinity (kJ/mol).
• BasG : Gas basicity (kJ/mol).
• Δ_cH°_liquid : Standard liquid enthalpy of combustion (kJ/mol).
• C_p,gas : Ideal gas heat capacity (J/mol×K).
• C_p,liquid : Liquid phase heat capacity (J/mol×K).
• μ : Dipole Moment (debye).
• 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_fusH : Enthalpy of fusion at a given temperature (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_triple : Triple Point 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.
• Δ_fusS : Entropy of fusion at a given temperature (J/mol×K).
• S°_gas : Molar entropy at standard conditions (J/mol×K).
• S°_liquid : Liquid phase molar entropy at standard conditions (J/mol×K).
• γ : Surface Tension (N/m).
• T_boil : Normal Boiling Point Temperature (K).
• T_c : Critical Temperature (K).
• λ_gas : Gas thermal conductivity (W/m×K).
• λ_liquid : Liquid thermal conductivity (W/m×K).
• T_fus : Normal melting (fusion) point (K).
• T_triple : Triple Point Temperature (K).
• U_Qi : UNIQUAC Qi Parameter.
• U_Ri : UNIQUAC Ri Parameter.
• V_c : Critical Volume (m³/kmol).
• Z_c : Critical Compressibility.
• Z_ra : Rackett Parameter.
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ω	[0.3770; 0.3800]
ω	0.3770		PSRK revision IV (2005), critical constants and acentric factors of 1000 components Compiled value
ω	0.3800		ChemSep v8.3 pure component data Compiled value
ω	0.3780		KDB
PAff	843.20	kJ/mol	NIST
BasG	811.30	kJ/mol	NIST
ΔcH°liquid	-3755.90 ± 0.79	kJ/mol	NIST
μ	2.87	debye	ChemSep v8.3 pure component data Compiled value
ΔfG°	-125.30	kJ/mol	ChemSep v8.3 pure component data Compiled value
ΔfH°gas	[-278.25; -277.70]	kJ/mol
ΔfH°gas	-277.70	kJ/mol	ChemSep v8.3 pure component data Compiled value
ΔfH°gas	-278.25 ± 0.89	kJ/mol	NIST
ΔfH°liquid	-320.13 ± 0.86	kJ/mol	NIST
ΔfusH°	12.89	kJ/mol	Joback Calculated Property
ΔvapH°	[40.60; 42.52]	kJ/mol
ΔvapH°	42.52	kJ/mol	NIST
ΔvapH°	42.45	kJ/mol	NIST
ΔvapH°	Outlier 40.60 ± 0.10	kJ/mol	NIST
ΔvapH°	42.30 ± 0.30	kJ/mol	NIST
ΔvapH°	42.30	kJ/mol	NIST
ΔvapH°	41.90 ± 0.20	kJ/mol	NIST
IE	[9.12; 9.30]	eV
IE	9.30	eV	NIST
IE	9.12 ± 0.02	eV	NIST
log10WS	[-0.83; -0.83]
log10WS	-0.83		Aq. Solubility Prediction
log10WS	-0.83		Estimated Solubility
logPoct/wat	1.766		Crippen Calculated Property
McVol	96.970	ml/mol	McGowan Calculated Property
Pc	[3320.00; 3323.46]	kPa
Pc	3320.00	kPa	IUPAC Vapor-Liquid Critical Properties of Elements and Compounds, part 7 Compiled value
Pc	3323.46	kPa	PSRK revision IV (2005), critical constants and acentric factors of 1000 components Compiled value
Pc	3320.00	kPa	ChemSep v8.3 pure component data Compiled value
Pc	3320.00	kPa	KDB
Pc	3320.00 ± 20.00	kPa	NIST
Ptriple	2.22e-03	kPa	ChemSep v8.3 pure component data Compiled value
ρc	265.42 ± 3.00	kg/m3	NIST
Inp	[746.00; 802.00]
Inp	764.80		NIST
Inp	765.97		NIST
Inp	764.11		NIST
Inp	764.10		NIST
Inp	764.37		NIST
Inp	765.00		NIST
Inp	766.00		NIST
Inp	764.00		NIST
Inp	764.00		NIST
Inp	765.00		NIST
Inp	768.00		NIST
Inp	750.00		NIST
Inp	761.00		NIST
Inp	746.00		NIST
Inp	746.00		NIST
Inp	751.00		NIST
Inp	757.40		NIST
Inp	783.30		NIST
Inp	756.00		NIST
Inp	756.00		NIST
Inp	784.00		NIST
Inp	785.50		NIST
Inp	791.00		NIST
Inp	790.00		NIST
Inp	795.00		NIST
Inp	Outlier 802.00		NIST
Inp	764.00		NIST
Inp	757.00		NIST
Inp	771.00		NIST
Inp	760.00		NIST
Inp	786.00		NIST
Inp	783.00		NIST
Inp	783.00		NIST
Inp	795.00		NIST
Inp	771.00		NIST
Inp	784.00		NIST
Inp	761.00		NIST
Inp	768.00		NIST
Inp	788.00		NIST
Inp	788.00		NIST
Inp	775.00		NIST
Inp	767.00		NIST
Inp	795.00		NIST
Inp	746.00		NIST
Inp	765.00		NIST
Inp	775.00		NIST
Inp	754.00		NIST
Inp	764.00		NIST
Inp	795.00		NIST
Inp	767.00		NIST
Inp	782.00		NIST
Inp	764.00		NIST
Inp	787.00		NIST
Inp	779.00		NIST
Inp	765.00		NIST
Inp	768.00		NIST
Inp	768.00		NIST
Inp	781.00		NIST
Inp	761.00		NIST
Inp	781.00		NIST
Inp	795.00		NIST
Inp	764.00		NIST
Inp	787.00		NIST
Inp	781.00		NIST
Inp	785.50		NIST
Inp	757.40		NIST
Ip	[1023.00; 1084.50]
Ip	Outlier 1084.50		NIST
Ip	1068.00		NIST
Ip	1073.30		NIST
Ip	Outlier 1078.90		NIST
Ip	1050.00		NIST
Ip	1065.00		NIST
Ip	Outlier 1023.00		NIST
Ip	1051.00		NIST
Ip	1053.00		NIST
Ip	1053.00		NIST
Ip	1040.00		NIST
Ip	1037.00		NIST
Ip	1053.00		NIST
Ip	1046.00		NIST
Ip	1053.00		NIST
Ip	1053.00		NIST
Ip	1054.00		NIST
Ip	1056.00		NIST
Ip	1052.00		NIST
Ip	1047.00		NIST
Ip	1058.00		NIST
Ip	1060.00		NIST
Ip	Outlier 1027.00		NIST
Ip	1053.00		NIST
Ip	1053.00		NIST
Ip	1053.00		NIST
Ip	1057.00		NIST
Ip	1042.00		NIST
Ip	1050.00		NIST
Ip	1055.00		NIST
Ip	1058.00		NIST
Ip	1055.00		NIST
Ip	1052.00		NIST
Ip	1049.00		NIST
Ip	1072.00		NIST
Ip	1075.00		NIST
Ip	1068.00		NIST
Ip	1055.00		NIST
Ip	1052.00		NIST
Ip	1042.00		NIST
Ip	1048.00		NIST
Ip	1055.00		NIST
Ip	Outlier 1023.00		NIST
Ip	1037.00		NIST
Ip	1054.00		NIST
S°gas	409.60	J/mol×K	NIST
S°liquid	305.30	J/mol×K	NIST
Tboil	[395.15; 398.15]	K
Tboil	396.65	K	ChemSep v8.3 pure component data Compiled value
Tboil	396.60	K	KDB
Tboil	396.20	K	NIST
Tboil	396.70	K	NIST
Tboil	396.64 ± 0.05	K	NIST
Tboil	397.00 ± 3.00	K	NIST
Tboil	Outlier 395.15 ± 2.00	K	NIST
Tboil	397.15 ± 2.00	K	NIST
Tboil	396.65 ± 1.50	K	NIST
Tboil	396.25 ± 0.50	K	NIST
Tboil	396.45 ± 0.50	K	NIST
Tboil	397.15 ± 1.50	K	NIST
Tboil	396.50 ± 0.50	K	NIST
Tboil	396.45 ± 0.50	K	NIST
Tboil	396.15 ± 1.00	K	NIST
Tboil	Outlier 398.15 ± 1.00	K	NIST
Tboil	396.80 ± 0.30	K	NIST
Tboil	396.15 ± 1.00	K	NIST
Tboil	396.15 ± 1.00	K	NIST
Tboil	Outlier 395.15 ± 1.00	K	NIST
Tboil	396.65 ± 1.00	K	NIST
Tboil	396.15 ± 1.00	K	NIST
Tboil	396.15 ± 2.00	K	NIST
Tboil	396.15 ± 1.00	K	NIST
Tc	[582.80; 583.20]	K
Tc	583.00	K	IUPAC Vapor-Liquid Critical Properties of Elements and Compounds, part 7 Compiled value
Tc	582.82	K	PSRK revision IV (2005), critical constants and acentric factors of 1000 components Compiled value
Tc	582.80	K	ChemSep v8.3 pure component data Compiled value
Tc	582.82	K	KDB
Tc	Outlier 583.20 ± 0.25	K	NIST
Tc	582.80	K	NIST
Tc	582.82 ± 0.40	K	NIST
Tfus	[215.00; 217.90]	K
Tfus	217.90	K	Jean-Claude Bradley Open Melting Point Dataset (2014, CC0) Compiled value
Tfus	Outlier 215.00	K	ChemSep v8.3 pure component data Compiled value
Tfus	217.60	K	KDB
Tfus	217.90	K	Aq. Solubility Prediction
Tfus	217.48 ± 0.02	K	NIST
Tfus	217.50 ± 0.01	K	NIST
Ttriple	[217.50; 217.72]	K
Ttriple	217.50	K	ChemSep v8.3 pure component data Compiled value
Ttriple	217.72 ± 0.05	K	NIST
Ttriple	217.72 ± 0.05	K	NIST
UQi	3.96		ChemSep v8.3 pure component data Compiled value
URi	4.60		ChemSep v8.3 pure component data Compiled value
Vc	[0.374; 0.378]	m3/kmol
Vc	0.378	m3/kmol	IUPAC Vapor-Liquid Critical Properties of Elements and Compounds, part 7 Compiled value
Vc	0.374	m3/kmol	PSRK revision IV (2005), critical constants and acentric factors of 1000 components Compiled value
Vc	0.378	m3/kmol	ChemSep v8.3 pure component data Compiled value
Zc	[0.2560000; 0.2590000]
Zc	0.2590000		IUPAC Vapor-Liquid Critical Properties of Elements and Compounds, part 7 Compiled value
Zc	0.2560000		ChemSep v8.3 pure component data Compiled value
Zra	0.26		ChemSep v8.3 pure component data Compiled value

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[178.45; 215.81]	J/mol×K	[383.15; 498.15]
Cp,gas	178.45	J/mol×K	383.15	NIST
Cp,gas	185.14	J/mol×K	403.15	NIST
Cp,gas	191.92	J/mol×K	423.15	NIST
Cp,gas	200.41	J/mol×K	448.15	NIST
Cp,gas	208.03	J/mol×K	473.15	NIST
Cp,gas	215.81	J/mol×K	498.15	NIST
Cp,liquid	[216.30; 216.90]	J/mol×K	[298.15; 298.15]
Cp,liquid	216.90	J/mol×K	298.15	NIST
Cp,liquid	216.30	J/mol×K	298.15	NIST
ΔfusH	[0.68; 13.47]	kJ/mol	[145.00; 217.70]
ΔfusH	0.68	kJ/mol	145.00	NIST
ΔfusH	13.47	kJ/mol	217.70	NIST
ΔfusH	13.47	kJ/mol	217.70	NIST
ΔvapH	[35.36; 42.20]	kJ/mol	[349.00; 547.00]
ΔvapH	42.20	kJ/mol	349.00	NIST
ΔvapH	38.40 ± 0.10	kJ/mol	354.00	NIST
ΔvapH	37.00 ± 0.10	kJ/mol	374.00	NIST
ΔvapH	38.80	kJ/mol	377.50	NIST
ΔvapH	38.90	kJ/mol	380.50	NIST
ΔvapH	35.40 ± 0.10	kJ/mol	396.00	NIST
ΔvapH	35.36	kJ/mol	396.70	NIST
ΔvapH	36.50	kJ/mol	462.50	NIST
ΔvapH	35.40	kJ/mol	547.00	NIST
ρl	813.00	kg/m3	295.00	KDB
ΔfusS	[4.70; 61.89]	J/mol×K	[145.00; 217.70]
ΔfusS	4.70	J/mol×K	145.00	NIST
ΔfusS	61.89	J/mol×K	217.70	NIST

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[112.91; 359.05]	J/mol×K	[150.00; 1500.00]	ChemSep v8.3 pure component data Compiled value
Equation			Y = A + exp(B/T + C + D·T + E·T²) Y is Cp,gas in J/mol×K, T in K
Coefficient A			1.08160e+02
Coefficient B			-6.75230e+02
Coefficient C			6.06524e+00
Coefficient D			-3.63720e-05
Coefficient E			-1.57890e-08
Temperature range, min.			150.00
Temperature range, max.			1500.00
Cp,gas	112.91	J/mol×K	150.00	Calculated Property
Cp,gas	152.96	J/mol×K	300.00	Calculated Property
Cp,gas	202.34	J/mol×K	450.00	Calculated Property
Cp,gas	244.12	J/mol×K	600.00	Calculated Property
Cp,gas	276.97	J/mol×K	750.00	Calculated Property
Cp,gas	302.47	J/mol×K	900.00	Calculated Property
Cp,gas	322.29	J/mol×K	1050.00	Calculated Property
Cp,gas	337.72	J/mol×K	1200.00	Calculated Property
Cp,gas	349.74	J/mol×K	1350.00	Calculated Property
Cp,gas	359.05	J/mol×K	1500.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
Cp,liquid	[205.15; 276.12]	J/mol×K	[217.50; 460.00]	ChemSep v8.3 pure component data Compiled value
Equation			Y = A + exp(B/T + C + D·T + E·T²) Y is Cp,liquid in J/mol×K, T in K
Coefficient A			1.85400e+02
Coefficient B			5.78770e+02
Coefficient C			-3.88166e+00
Coefficient D			2.27600e-02
Coefficient E			-1.57770e-05
Temperature range, min.			217.50
Temperature range, max.			460.00
Cp,liquid	205.15	J/mol×K	217.50	Calculated Property
Cp,liquid	207.75	J/mol×K	244.44	Calculated Property
Cp,liquid	211.60	J/mol×K	271.39	Calculated Property
Cp,liquid	216.72	J/mol×K	298.33	Calculated Property
Cp,liquid	223.18	J/mol×K	325.28	Calculated Property
Cp,liquid	231.04	J/mol×K	352.22	Calculated Property
Cp,liquid	240.35	J/mol×K	379.17	Calculated Property
Cp,liquid	251.06	J/mol×K	406.11	Calculated Property
Cp,liquid	263.06	J/mol×K	433.06	Calculated Property
Cp,liquid	276.12	J/mol×K	460.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0025541; 0.0001298]	Pa×s	[217.50; 505.00]	ChemSep v8.3 pure component data Compiled value
Equation			Y = exp(A + B/T + C·ln(T) + D·T^E) Y is η in Pa×s, T in K
Coefficient A			-3.11900e+00
Coefficient B			9.57180e+02
Coefficient C			-1.37640e+00
Coefficient D			3.30130e-06
Coefficient E			2.00000e+00
Temperature range, min.			217.50
Temperature range, max.			505.00
η	0.0025541	Pa×s	217.50	Calculated Property
η	0.0012646	Pa×s	249.44	Calculated Property
η	0.0007329	Pa×s	281.39	Calculated Property
η	0.0004758	Pa×s	313.33	Calculated Property
η	0.0003363	Pa×s	345.28	Calculated Property
η	0.0002541	Pa×s	377.22	Calculated Property
η	0.0002025	Pa×s	409.17	Calculated Property
η	0.0001686	Pa×s	441.11	Calculated Property
η	0.0001456	Pa×s	473.06	Calculated Property
η	0.0001298	Pa×s	505.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
ΔvapH	[46.97; 16.18]	kJ/mol	[217.50; 563.59]	ChemSep v8.3 pure component data Compiled value
Equation			Y = A·(1 − Tr)^(B + C·Tr + D·Tr² + E·Tr³), Tr = T/Tc Y is ΔvapH in kJ/mol, T in K
Coefficient A			5.13427e+01
Coefficient B			-2.94625e-01
Coefficient C			1.94188e+00
Coefficient D			-1.96318e+00
Coefficient E			6.53572e-01
Critical temperature, Tc (K)			5.82800e+02
Temperature range, min.			217.50
Temperature range, max.			563.59
ΔvapH	46.97	kJ/mol	217.50	Calculated Property
ΔvapH	44.82	kJ/mol	255.95	Calculated Property
ΔvapH	42.47	kJ/mol	294.41	Calculated Property
ΔvapH	39.97	kJ/mol	332.86	Calculated Property
ΔvapH	37.32	kJ/mol	371.32	Calculated Property
ΔvapH	34.50	kJ/mol	409.77	Calculated Property
ΔvapH	31.42	kJ/mol	448.23	Calculated Property
ΔvapH	27.89	kJ/mol	486.68	Calculated Property
ΔvapH	23.42	kJ/mol	525.14	Calculated Property
ΔvapH	16.18	kJ/mol	563.59	Calculated Property

Property	Value	Unit	Temperature (K)	Source
Pvap	[1.33; 202.65]	kPa	[294.82; 420.56]	The Yaws Handbook of Vapor Pressure
Equation			ln(Y) = A + B/(T + C) Y is Pvap in kPa, T in K
Coefficient A			1.50365e+01
Coefficient B			-3.58989e+03
Coefficient C			-5.14190e+01
Temperature range, min.			294.82
Temperature range, max.			420.56
Pvap	1.33	kPa	294.82	Calculated Property
Pvap	2.97	kPa	308.79	Calculated Property
Pvap	6.09	kPa	322.76	Calculated Property
Pvap	11.64	kPa	336.73	Calculated Property
Pvap	20.94	kPa	350.70	Calculated Property
Pvap	35.75	kPa	364.68	Calculated Property
Pvap	58.31	kPa	378.65	Calculated Property
Pvap	91.38	kPa	392.62	Calculated Property
Pvap	138.23	kPa	406.59	Calculated Property
Pvap	202.65	kPa	420.56	Calculated Property
Pvap	[1.93e-03; 3345.68]	kPa	[217.50; 582.80]	ChemSep v8.3 pure component data Compiled value
Equation			Y = exp(A + B/T + C·ln(T) + D·T^E) Y is Pvap in kPa, T in K
Coefficient A			1.02551e+02
Coefficient B			-8.52055e+03
Coefficient C			-1.30153e+01
Coefficient D			9.01963e-06
Coefficient E			2.00000e+00
Comment			Range stopped at Tc; ChemSep gives it to 582.82 K.
Temperature range, min.			217.50
Temperature range, max.			582.80
Pvap	1.93e-03	kPa	217.50	Calculated Property
Pvap	0.12	kPa	258.09	Calculated Property
Pvap	1.91	kPa	298.68	Calculated Property
Pvap	13.98	kPa	339.27	Calculated Property
Pvap	61.16	kPa	379.86	Calculated Property
Pvap	190.69	kPa	420.44	Calculated Property
Pvap	472.50	kPa	461.03	Calculated Property
Pvap	999.95	kPa	501.62	Calculated Property
Pvap	1898.26	kPa	542.21	Calculated Property
Pvap	3345.68	kPa	582.80	Calculated Property
Pvap	[2.05e-03; 3341.31]	kPa	[217.50; 582.82]	KDB Vapor Pressure Data
Equation			ln(Y) = A + B/T + C·ln(T) + D·T² + E/T² Y is Pvap in kPa, T in K
Coefficient A			9.37823e+01
Coefficient B			-8.17241e+03
Coefficient C			-1.16608e+01
Coefficient D			7.67977e-06
Coefficient E			0.00000e+00
Temperature range, min.			217.50
Temperature range, max.			582.82
Pvap	2.05e-03	kPa	217.50	Calculated Property
Pvap	0.12	kPa	258.09	Calculated Property
Pvap	1.91	kPa	298.68	Calculated Property
Pvap	13.92	kPa	339.27	Calculated Property
Pvap	61.15	kPa	379.86	Calculated Property
Pvap	191.71	kPa	420.46	Calculated Property
Pvap	476.93	kPa	461.05	Calculated Property
Pvap	1010.15	kPa	501.64	Calculated Property
Pvap	1911.23	kPa	542.23	Calculated Property
Pvap	3341.31	kPa	582.82	Calculated Property
Pvap	[20.42; 133.28]	kPa	[348.76; 406.51]	NIST
Equation			ln(Y) = A + B/(T + C) Y is Pvap in kPa, T in K
Coefficient A			1.41050e+01
Coefficient B			-3.14487e+03
Coefficient C			-6.51430e+01
Reference			Collerson, Counsell, et al., 1965, 2
Temperature range, min.			348.76
Temperature range, max.			406.51
Pvap	20.42	kPa	348.76	Calculated Property
Pvap	26.10	kPa	355.18	Calculated Property
Pvap	33.00	kPa	361.59	Calculated Property
Pvap	41.32	kPa	368.01	Calculated Property
Pvap	51.25	kPa	374.43	Calculated Property
Pvap	63.02	kPa	380.84	Calculated Property
Pvap	76.85	kPa	387.26	Calculated Property
Pvap	93.00	kPa	393.68	Calculated Property
Pvap	111.72	kPa	400.09	Calculated Property
Pvap	133.28	kPa	406.51	Calculated Property
Pvap	[20.42; 133.28]	kPa	[348.76; 406.51]	NIST
Equation			ln(Y) = A + B/(T + C) Y is Pvap in kPa, T in K
Coefficient A			1.41050e+01
Coefficient B			-3.14487e+03
Coefficient C			-6.51430e+01
Reference			Collerson, Counsell, et al., 1965
Temperature range, min.			348.76
Temperature range, max.			406.51
Pvap	20.42	kPa	348.76	Calculated Property
Pvap	26.10	kPa	355.18	Calculated Property
Pvap	33.00	kPa	361.59	Calculated Property
Pvap	41.32	kPa	368.01	Calculated Property
Pvap	51.25	kPa	374.43	Calculated Property
Pvap	63.02	kPa	380.84	Calculated Property
Pvap	76.85	kPa	387.26	Calculated Property
Pvap	93.00	kPa	393.68	Calculated Property
Pvap	111.72	kPa	400.09	Calculated Property
Pvap	133.28	kPa	406.51	Calculated Property

Property	Value	Unit	Temperature (K)	Source
ρl	[876.76; 278.98]	kg/m3	[217.50; 582.80]	ChemSep v8.3 pure component data Compiled value
Equation			Y = A / B^(1 + (1 − T/C)^D) Y is ρl in kg/m3, T in K
Coefficient A			6.09407e+01
Coefficient B			2.43030e-01
Coefficient C			5.82830e+02
Coefficient D			2.61770e-01
Comment			Range stopped at Tc; ChemSep gives it to 582.82 K.
Temperature range, min.			217.50
Temperature range, max.			582.80
ρl	876.76	kg/m3	217.50	Calculated Property
ρl	844.07	kg/m3	258.09	Calculated Property
ρl	809.60	kg/m3	298.68	Calculated Property
ρl	772.94	kg/m3	339.27	Calculated Property
ρl	733.43	kg/m3	379.86	Calculated Property
ρl	690.11	kg/m3	420.44	Calculated Property
ρl	641.26	kg/m3	461.03	Calculated Property
ρl	583.42	kg/m3	501.62	Calculated Property
ρl	507.17	kg/m3	542.21	Calculated Property
ρl	278.98	kg/m3	582.80	Calculated Property

Property	Value	Unit	Temperature (K)	Source
γ	[0.03; 9.82e-04]	N/m	[217.50; 563.59]	ChemSep v8.3 pure component data Compiled value
Equation			Y = A + exp(B/T + C + D·T + E·T²) Y is γ in N/m, T in K
Coefficient A			-3.47410e-02
Coefficient B			-2.08970e+01
Coefficient C			-2.18500e+00
Coefficient D			-1.79420e-03
Coefficient E			-3.10710e-07
Temperature range, min.			217.50
Temperature range, max.			563.59
γ	0.03	N/m	217.50	Calculated Property
γ	0.03	N/m	255.95	Calculated Property
γ	0.03	N/m	294.41	Calculated Property
γ	0.02	N/m	332.86	Calculated Property
γ	0.02	N/m	371.32	Calculated Property
γ	0.01	N/m	409.77	Calculated Property
γ	0.01	N/m	448.23	Calculated Property
γ	0.01	N/m	486.68	Calculated Property
γ	0.00	N/m	525.14	Calculated Property
γ	9.82e-04	N/m	563.59	Calculated Property

Property	Value	Unit	Temperature (K)	Source
λgas	[0.01; 0.11]	W/m×K	[217.50; 1000.00]	ChemSep v8.3 pure component data Compiled value
Equation			Y = A·T^B / (1 + C/T + D/T²) Y is λgas in W/m×K, T in K
Coefficient A			-2.42910e-01
Coefficient B			1.17590e-01
Coefficient C			-2.30660e+03
Coefficient D			-3.68190e+06
Temperature range, min.			217.50
Temperature range, max.			1000.00
λgas	0.01	W/m×K	217.50	Calculated Property
λgas	0.01	W/m×K	304.44	Calculated Property
λgas	0.02	W/m×K	391.39	Calculated Property
λgas	0.03	W/m×K	478.33	Calculated Property
λgas	0.04	W/m×K	565.28	Calculated Property
λgas	0.05	W/m×K	652.22	Calculated Property
λgas	0.06	W/m×K	739.17	Calculated Property
λgas	0.07	W/m×K	826.11	Calculated Property
λgas	0.09	W/m×K	913.06	Calculated Property
λgas	0.11	W/m×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
λliquid	[0.19; 0.08]	W/m×K	[174.85; 533.15]	ChemSep v8.3 pure component data Compiled value
Equation			Y = A + exp(B/T + C + D·T + E·T²) Y is λliquid in W/m×K, T in K
Coefficient A			8.38010e-03
Coefficient B			8.08080e+01
Coefficient C			-2.23770e+00
Coefficient D			8.31750e-04
Coefficient E			-3.30280e-06
Temperature range, min.			174.85
Temperature range, max.			533.15
λliquid	0.19	W/m×K	174.85	Calculated Property
λliquid	0.17	W/m×K	214.66	Calculated Property
λliquid	0.15	W/m×K	254.47	Calculated Property
λliquid	0.14	W/m×K	294.28	Calculated Property
λliquid	0.13	W/m×K	334.09	Calculated Property
λliquid	0.12	W/m×K	373.91	Calculated Property
λliquid	0.11	W/m×K	413.72	Calculated Property
λliquid	0.10	W/m×K	453.53	Calculated Property
λliquid	0.09	W/m×K	493.34	Calculated Property
λliquid	0.08	W/m×K	533.15	Calculated Property

Similar Compounds

Find more compounds similar to 3-Hexanone.

Mixtures

• 3-Hexanone + Water
• Propanamide, N,N-bis(2-ethylhexyl)-2-methyl- + 3-Hexanone

Sources

• KDB Vapor Pressure Data
• 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.
• PSRK revision IV (2005), critical constants and acentric factors of 1000 components ChEDL chemicals 1.5.2, from Horstmann, S.; Jabłoniec, A.; Krafczyk, J.; Fischer, K.; Gmehling, J. PSRK Group Contribution Equation of State: Comprehensive Revision and Extension IV, Including Critical Constants and α-Function Parameters for 1000 Components. Fluid Phase Equilib. 2005, 227, 157-164.
• ChemSep v8.3 pure component data Converted from ChemSep v8.3 pure component data, H. Kooijman and R. Taylor (2021, 2022), Artistic License 2.0; see how the values differ.
• Crippen Method
• Measurements of activity coefficients at infinite dilution of organic solutes and water in 1-propyl-1-methylpiperidinium bis{(trifluoromethyl)sulfonyl}imide ionic liquid using g.l.c.
• Activity coefficients at infinite dilution measurements for organic solutes and water in the ionic liquid 1-ethyl-3-methylimidazolium tetracyanoborate
• Physicochemical properties and activity coefficients at infinite dilution for organic solutes and water in a novel bicyclic guanidinium superbase-derived protic ionic liquid
• Measurements of activity coefficients at infinite dilution for organic solutes and water in N-hexylisoquinolinium thiocyanate, [HiQuin][SCN] using GLC
• The study of activity coefficients at infinite dilution for organic solutes and water in 1-butyl-4-methylpyridinium dicyanamide, [B4MPy][DCA] using GLC
• Activity coefficients at infinite dilution for organic solutes and water in 1-ethyl-1-methylpyrrolidinium lactate
• Separation of aliphatic from aromatic hydrocarbons and sulphur compounds from fuel based on measurements of activity coefficients at infinite dilution for organic solutes and water in the ionic liquid N,N-diethyl-N-methyl-N-(2-methoxy-ethyl)ammonium bis(trifluoromethylsulfonyl)imide
• Activity Coefficients at Infinite Dilution of Organic Solutes and Water in Tributylethylphosphonium Diethylphosphate Using Gas Liquid Chromatography: Thermodynamic Properties of Mixtures Containing Ionic Liquids
• Determination of Activity Coefficients at Infinite Dilution of Solutes in N,N'-Di(2-ethylhexyl)isobutyramide Using Inverse Gas-Liquid Chromatography
• Air-Water Partitioning of C5 and C6 Alkanones: Measurement, Critical Compilation, Correlation, and Recommended Data
• Joback Method
• KDB
• Aqueous Solubility Prediction Method
• Estimated Solubility Method
• McGowan Method
• NIST Webbook
• The Yaws Handbook of Vapor Pressure

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