Chemical Properties of 4-Heptanone (CAS 123-19-3)

InChI

InChI=1S/C7H14O/c1-3-5-7(8)6-4-2/h3-6H2,1-2H3

InChI Key

HCFAJYNVAYBARA-UHFFFAOYSA-N

Formula

C7H14O

SMILES

CCCC(=O)CCC

Molecular Weight¹

114.19

CAS

123-19-3

Other Names

• (n-C3H7)2CO
• Butyrone
• Di-n-propyl ketone
• GBL
• Heptan-4-one
• NSC 8692
• Propyl ketone
• UN 2710
• dipropyl ketone

• ω : Acentric Factor.
• PAff : Proton affinity (kJ/mol).
• BasG : Gas basicity (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_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).
• NFPA Fire : NFPA Fire Rating.
• NFPA Health : NFPA Health Rating.
• P_c : Critical Pressure (kPa).
• P_triple : Triple Point Pressure (kPa).
• P_vap : Vapor pressure (kPa).
• n₀ : Refractive Index.
• ρ_c : Critical density (kg/m³).
• ρ_l : Liquid Density (kg/m³).
• I_np : Non-polar retention indices.
• I_p : Polar retention indices.
• 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	[0.4410; 0.4714]
ω	0.4410		PSRK revision IV (2005), critical constants and acentric factors of 1000 components Compiled value
ω	0.4714		ChemSep v8.3 pure component data Compiled value
PAff	845.00	kJ/mol	NIST
BasG	815.30	kJ/mol	NIST
μ	2.50	debye	ChemSep v8.3 pure component data Compiled value
ΔfG°	-119.60	kJ/mol	ChemSep v8.3 pure component data Compiled value
ΔfH°gas	[-301.00; -298.30]	kJ/mol
ΔfH°gas	-301.00	kJ/mol	ChemSep v8.3 pure component data Compiled value
ΔfH°gas	-298.30 ± 1.30	kJ/mol	NIST
ΔfusH°	15.48	kJ/mol	Joback Calculated Property
ΔvapH°	[46.20; 47.80]	kJ/mol
ΔvapH°	47.80	kJ/mol	NIST
ΔvapH°	46.20 ± 0.40	kJ/mol	NIST
ΔvapH°	46.70	kJ/mol	NIST
IE	[9.04; 9.84]	eV
IE	9.10 ± 0.04	eV	NIST
IE	9.04 ± 0.02	eV	NIST
IE	9.10 ± 0.01	eV	NIST
IE	9.15	eV	NIST
IE	Outlier 9.84	eV	NIST
IE	9.12 ± 0.03	eV	NIST
log10WS	[-1.30; -1.30]
log10WS	-1.30		Aq. Solubility Prediction
log10WS	-1.30		Estimated Solubility
logPoct/wat	2.156		Crippen Calculated Property
McVol	111.060	ml/mol	McGowan Calculated Property
NFPA Fire	2		KDB
NFPA Health	2		KDB
Pc	[2920.00; 3019.49]	kPa
Pc	3019.49	kPa	PSRK revision IV (2005), critical constants and acentric factors of 1000 components Compiled value
Pc	2920.00	kPa	ChemSep v8.3 pure component data Compiled value
Ptriple	7.96e-03	kPa	ChemSep v8.3 pure component data Compiled value
ρc	262.63 ± 3.43	kg/m3	NIST
Inp	[817.00; 878.00]
Inp	853.40		NIST
Inp	855.00		NIST
Inp	852.00		NIST
Inp	853.00		NIST
Inp	854.00		NIST
Inp	859.00		NIST
Inp	860.00		NIST
Inp	859.00		NIST
Inp	859.00		NIST
Inp	Outlier 817.00		NIST
Inp	837.00		NIST
Inp	851.00		NIST
Inp	833.00		NIST
Inp	838.00		NIST
Inp	860.00		NIST
Inp	869.00		NIST
Inp	872.00		NIST
Inp	874.00		NIST
Inp	852.00		NIST
Inp	851.00		NIST
Inp	873.00		NIST
Inp	871.00		NIST
Inp	871.00		NIST
Inp	873.00		NIST
Inp	848.00		NIST
Inp	857.00		NIST
Inp	850.00		NIST
Inp	878.00		NIST
Inp	853.00		NIST
Inp	855.00		NIST
Inp	868.00		NIST
Inp	852.00		NIST
Inp	853.00		NIST
Inp	852.00		NIST
Inp	853.00		NIST
Inp	877.00		NIST
Inp	857.00		NIST
Inp	857.00		NIST
Inp	857.00		NIST
Inp	857.00		NIST
Inp	878.00		NIST
Inp	853.00		NIST
Inp	857.00		NIST
Inp	853.40		NIST
Inp	859.00		NIST
Inp	837.00		NIST
Ip	[1118.00; 1170.00]
Ip	1157.10		NIST
Ip	1139.40		NIST
Ip	1145.00		NIST
Ip	1151.10		NIST
Ip	1120.80		NIST
Ip	1131.90		NIST
Ip	1135.50		NIST
Ip	1118.00		NIST
Ip	Outlier 1170.00		NIST
Ip	1131.00		NIST
Ip	1162.00		NIST
Ip	1139.00		NIST
Ip	1131.00		NIST
Ip	1131.00		NIST
Ip	1118.00		NIST
Ip	1157.10		NIST
Ip	1131.90		NIST
Tboil	[413.15; 424.65]	K
Tboil	417.15	K	ChemSep v8.3 pure component data Compiled value
Tboil	416.67	K	KDB
Tboil	417.20	K	NIST
Tboil	415.65 ± 3.00	K	NIST
Tboil	414.65 ± 5.00	K	NIST
Tboil	416.65 ± 1.00	K	NIST
Tboil	416.15 ± 2.00	K	NIST
Tboil	415.40 ± 1.50	K	NIST
Tboil	416.15 ± 3.00	K	NIST
Tboil	417.15 ± 0.50	K	NIST
Tboil	418.40 ± 1.00	K	NIST
Tboil	417.65 ± 1.00	K	NIST
Tboil	416.70 ± 1.00	K	NIST
Tboil	416.70 ± 0.50	K	NIST
Tboil	417.15 ± 1.00	K	NIST
Tboil	419.15 ± 2.00	K	NIST
Tboil	417.20 ± 0.50	K	NIST
Tboil	416.65 ± 2.00	K	NIST
Tboil	Outlier 424.65 ± 5.00	K	NIST
Tboil	419.15 ± 2.00	K	NIST
Tboil	417.23 ± 0.20	K	NIST
Tboil	416.05 ± 2.00	K	NIST
Tboil	414.15 ± 3.00	K	NIST
Tboil	415.65 ± 2.00	K	NIST
Tboil	417.40 ± 0.50	K	NIST
Tboil	417.25 ± 0.50	K	NIST
Tboil	417.15 ± 1.00	K	NIST
Tboil	418.15 ± 1.00	K	NIST
Tboil	416.67 ± 0.20	K	NIST
Tboil	416.65 ± 0.50	K	NIST
Tboil	416.65 ± 1.00	K	NIST
Tboil	413.15 ± 5.00	K	NIST
Tboil	413.15 ± 5.00	K	NIST
Tc	[595.00; 604.00]	K
Tc	602.00	K	IUPAC Vapor-Liquid Critical Properties of Elements and Compounds, part 7 Compiled value
Tc	604.00	K	PSRK revision IV (2005), critical constants and acentric factors of 1000 components Compiled value
Tc	595.00	K	ChemSep v8.3 pure component data Compiled value
Tc	602.00 ± 0.20	K	NIST
Tfus	[240.15; 240.70]	K
Tfus	240.15	K	Jean-Claude Bradley Open Melting Point Dataset (2014, CC0) Compiled value
Tfus	240.65	K	ChemSep v8.3 pure component data Compiled value
Tfus	240.70 ± 0.50	K	NIST
Tfus	240.60 ± 0.20	K	NIST
Ttriple	[240.65; 241.77]	K
Ttriple	241.77	K	Thermodynamics of binary mixtures of N-methyl-2-pyrrolidinone and ketone. Experimental results and modelling of the solid-liquid equilibrium and vapou-liquid equilibrium. The Modified UNIFAC (Do) model characterization
Ttriple	240.65	K	ChemSep v8.3 pure component data Compiled value
UQi	4.50		ChemSep v8.3 pure component data Compiled value
URi	5.27		ChemSep v8.3 pure component data Compiled value
Vc	[0.421; 0.434]	m3/kmol
Vc	0.434	m3/kmol	IUPAC Vapor-Liquid Critical Properties of Elements and Compounds, part 7 Compiled value
Vc	0.431	m3/kmol	PSRK revision IV (2005), critical constants and acentric factors of 1000 components Compiled value
Vc	0.421	m3/kmol	ChemSep v8.3 pure component data Compiled value
Zc	0.2530000		ChemSep v8.3 pure component data Compiled value
Zra	0.25		ChemSep v8.3 pure component data Compiled value

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
ΔfusH	[16.16; 17.53]	kJ/mol	[236.00; 240.20]
ΔfusH	17.53	kJ/mol	236.00	NIST
ΔfusH	16.16	kJ/mol	240.20	NIST
ΔfusH	16.16	kJ/mol	240.20	NIST
ΔvapH	[40.70; 57.50]	kJ/mol	[303.00; 397.00]
ΔvapH	40.70	kJ/mol	303.00	NIST
ΔvapH	57.50	kJ/mol	356.50	NIST
ΔvapH	45.50	kJ/mol	397.00	NIST
Pvap	[14.54; 91.55]	kPa	[358.74; 413.43]
Pvap	14.54	kPa	358.74	Vapor Liquid Equilibria Measurements for the Nine n-Alkane/Ketone Pairs Comprising 2-, 3-, and 4-Heptanone with n-Octane, n-Nonane, and n-Decane
Pvap	17.72	kPa	363.42	Vapor Liquid Equilibria Measurements for the Nine n-Alkane/Ketone Pairs Comprising 2-, 3-, and 4-Heptanone with n-Octane, n-Nonane, and n-Decane
Pvap	22.69	kPa	370.01	Vapor Liquid Equilibria Measurements for the Nine n-Alkane/Ketone Pairs Comprising 2-, 3-, and 4-Heptanone with n-Octane, n-Nonane, and n-Decane
Pvap	29.93	kPa	377.77	Vapor Liquid Equilibria Measurements for the Nine n-Alkane/Ketone Pairs Comprising 2-, 3-, and 4-Heptanone with n-Octane, n-Nonane, and n-Decane
Pvap	36.63	kPa	383.70	Vapor Liquid Equilibria Measurements for the Nine n-Alkane/Ketone Pairs Comprising 2-, 3-, and 4-Heptanone with n-Octane, n-Nonane, and n-Decane
Pvap	40.00	kPa	385.47	Vapor Liquid Equilibria Measurements for the Nine n-Alkane/Ketone Pairs Comprising 2-, 3-, and 4-Heptanone with n-Octane, n-Nonane, and n-Decane
Pvap	40.00	kPa	385.50	Vapor Liquid Equilibria Measurements for the Nine n-Alkane/Ketone Pairs Comprising 2-, 3-, and 4-Heptanone with n-Octane, n-Nonane, and n-Decane
Pvap	40.00	kPa	385.87	Vapor Liquid Equilibria Measurements for the Nine n-Alkane/Ketone Pairs Comprising 2-, 3-, and 4-Heptanone with n-Octane, n-Nonane, and n-Decane
Pvap	43.17	kPa	388.63	Vapor Liquid Equilibria Measurements for the Nine n-Alkane/Ketone Pairs Comprising 2-, 3-, and 4-Heptanone with n-Octane, n-Nonane, and n-Decane
Pvap	50.95	kPa	393.78	Vapor Liquid Equilibria Measurements for the Nine n-Alkane/Ketone Pairs Comprising 2-, 3-, and 4-Heptanone with n-Octane, n-Nonane, and n-Decane
Pvap	59.15	kPa	398.38	Vapor Liquid Equilibria Measurements for the Nine n-Alkane/Ketone Pairs Comprising 2-, 3-, and 4-Heptanone with n-Octane, n-Nonane, and n-Decane
Pvap	69.39	kPa	403.74	Vapor Liquid Equilibria Measurements for the Nine n-Alkane/Ketone Pairs Comprising 2-, 3-, and 4-Heptanone with n-Octane, n-Nonane, and n-Decane
Pvap	78.55	kPa	407.98	Vapor Liquid Equilibria Measurements for the Nine n-Alkane/Ketone Pairs Comprising 2-, 3-, and 4-Heptanone with n-Octane, n-Nonane, and n-Decane
Pvap	86.20	kPa	411.20	Vapor Liquid Equilibria Measurements for the Nine n-Alkane/Ketone Pairs Comprising 2-, 3-, and 4-Heptanone with n-Octane, n-Nonane, and n-Decane
Pvap	91.55	kPa	413.43	Vapor Liquid Equilibria Measurements for the Nine n-Alkane/Ketone Pairs Comprising 2-, 3-, and 4-Heptanone with n-Octane, n-Nonane, and n-Decane
n0	1.40680		293.15	Distribution of Butyric Acid between Water and Several Solvents

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[139.70; 413.70]	J/mol×K	[200.00; 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			1.21670e+02
Coefficient B			-6.59010e+02
Coefficient C			6.18524e+00
Coefficient D			1.64320e-05
Coefficient E			-4.16370e-08
Temperature range, min.			200.00
Temperature range, max.			1500.00
Cp,gas	139.70	J/mol×K	200.00	Calculated Property
Cp,gas	193.39	J/mol×K	344.44	Calculated Property
Cp,gas	247.55	J/mol×K	488.89	Calculated Property
Cp,gas	292.11	J/mol×K	633.33	Calculated Property
Cp,gas	327.19	J/mol×K	777.78	Calculated Property
Cp,gas	354.52	J/mol×K	922.22	Calculated Property
Cp,gas	375.73	J/mol×K	1066.67	Calculated Property
Cp,gas	392.08	J/mol×K	1211.11	Calculated Property
Cp,gas	404.50	J/mol×K	1355.56	Calculated Property
Cp,gas	413.70	J/mol×K	1500.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
Cp,liquid	[237.34; 327.94]	J/mol×K	[240.00; 480.00]	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			2.09750e+02
Coefficient B			2.22650e+02
Coefficient C			-5.04755e-01
Coefficient D			1.40920e-02
Coefficient E			-8.46770e-06
Temperature range, min.			240.00
Temperature range, max.			480.00
Cp,liquid	237.34	J/mol×K	240.00	Calculated Property
Cp,liquid	242.40	J/mol×K	266.67	Calculated Property
Cp,liquid	248.59	J/mol×K	293.33	Calculated Property
Cp,liquid	255.97	J/mol×K	320.00	Calculated Property
Cp,liquid	264.63	J/mol×K	346.67	Calculated Property
Cp,liquid	274.62	J/mol×K	373.33	Calculated Property
Cp,liquid	285.99	J/mol×K	400.00	Calculated Property
Cp,liquid	298.71	J/mol×K	426.67	Calculated Property
Cp,liquid	312.73	J/mol×K	453.33	Calculated Property
Cp,liquid	327.94	J/mol×K	480.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0020802; 0.0001351]	Pa×s	[240.65; 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			-2.90130e+01
Coefficient B			1.98910e+03
Coefficient C			2.67860e+00
Coefficient D			-1.99430e-06
Coefficient E			2.00000e+00
Temperature range, min.			240.65
Temperature range, max.			505.00
η	0.0020802	Pa×s	240.65	Calculated Property
η	0.0011184	Pa×s	270.02	Calculated Property
η	0.0006924	Pa×s	299.39	Calculated Property
η	0.0004737	Pa×s	328.77	Calculated Property
η	0.0003484	Pa×s	358.14	Calculated Property
η	0.0002704	Pa×s	387.51	Calculated Property
η	0.0002185	Pa×s	416.88	Calculated Property
η	0.0001821	Pa×s	446.26	Calculated Property
η	0.0001554	Pa×s	475.63	Calculated Property
η	0.0001351	Pa×s	505.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
ΔvapH	[49.31; 14.31]	kJ/mol	[240.65; 582.98]	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			6.63056e+01
Coefficient B			5.14360e-01
Coefficient C			6.00897e-01
Coefficient D			-1.41443e+00
Coefficient E			6.88564e-01
Critical temperature, Tc (K)			5.95000e+02
Temperature range, min.			240.65
Temperature range, max.			582.98
ΔvapH	49.31	kJ/mol	240.65	Calculated Property
ΔvapH	46.66	kJ/mol	278.69	Calculated Property
ΔvapH	44.08	kJ/mol	316.72	Calculated Property
ΔvapH	41.53	kJ/mol	354.76	Calculated Property
ΔvapH	38.96	kJ/mol	392.80	Calculated Property
ΔvapH	36.23	kJ/mol	430.83	Calculated Property
ΔvapH	33.17	kJ/mol	468.87	Calculated Property
ΔvapH	29.42	kJ/mol	506.91	Calculated Property
ΔvapH	24.20	kJ/mol	544.94	Calculated Property
ΔvapH	14.31	kJ/mol	582.98	Calculated Property

Property	Value	Unit	Temperature (K)	Source
Pvap	[1.33; 202.65]	kPa	[311.22; 442.69]	The Yaws Handbook of Vapor Pressure
Equation			ln(Y) = A + B/(T + C) Y is Pvap in kPa, T in K
Coefficient A			1.50215e+01
Coefficient B			-3.74392e+03
Coefficient C			-5.71180e+01
Temperature range, min.			311.22
Temperature range, max.			442.69
Pvap	1.33	kPa	311.22	Calculated Property
Pvap	2.97	kPa	325.83	Calculated Property
Pvap	6.09	kPa	340.44	Calculated Property
Pvap	11.64	kPa	355.04	Calculated Property
Pvap	20.95	kPa	369.65	Calculated Property
Pvap	35.77	kPa	384.26	Calculated Property
Pvap	58.34	kPa	398.87	Calculated Property
Pvap	91.41	kPa	413.47	Calculated Property
Pvap	138.26	kPa	428.08	Calculated Property
Pvap	202.65	kPa	442.69	Calculated Property
Pvap	[7.78e-03; 2785.43]	kPa	[240.65; 595.00]	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			1.14650e+02
Coefficient B			-9.31028e+03
Coefficient C			-1.48527e+01
Coefficient D			1.07810e-05
Coefficient E			2.00000e+00
Comment			Range stopped at Tc; ChemSep gives it to 602 K.
Temperature range, min.			240.65
Temperature range, max.			595.00
Pvap	7.78e-03	kPa	240.65	Calculated Property
Pvap	0.24	kPa	280.02	Calculated Property
Pvap	2.59	kPa	319.39	Calculated Property
Pvap	15.08	kPa	358.77	Calculated Property
Pvap	57.66	kPa	398.14	Calculated Property
Pvap	166.18	kPa	437.51	Calculated Property
Pvap	394.77	kPa	476.88	Calculated Property
Pvap	821.00	kPa	516.26	Calculated Property
Pvap	1559.01	kPa	555.63	Calculated Property
Pvap	2785.43	kPa	595.00	Calculated Property
Pvap	[0.07; 67.42]	kPa	[267.15; 405.15]	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			1.51465e+02
Coefficient B			-1.08461e+04
Coefficient C			-2.05602e+01
Coefficient D			1.80628e-05
Coefficient E			0.00000e+00
Temperature range, min.			267.15
Temperature range, max.			405.15
Pvap	0.07	kPa	267.15	Calculated Property
Pvap	0.22	kPa	282.48	Calculated Property
Pvap	0.62	kPa	297.82	Calculated Property
Pvap	1.57	kPa	313.15	Calculated Property
Pvap	3.52	kPa	328.48	Calculated Property
Pvap	7.25	kPa	343.82	Calculated Property
Pvap	13.81	kPa	359.15	Calculated Property
Pvap	24.66	kPa	374.48	Calculated Property
Pvap	41.72	kPa	389.82	Calculated Property
Pvap	67.42	kPa	405.15	Calculated Property
Pvap	[0.13; 101.05]	kPa	[296.00; 416.90]	NIST
Equation			ln(Y) = A + B/(T + C) Y is Pvap in kPa, T in K
Coefficient A			1.83050e+01
Coefficient B			-5.06536e+03
Coefficient C			-4.68790e+01
Reference			Stull, 1947
Comment			Coefficents calculated by NIST from author's data.
Temperature range, min.			296.00
Temperature range, max.			416.90
Pvap	0.13	kPa	296.00	Calculated Property
Pvap	0.37	kPa	309.43	Calculated Property
Pvap	0.95	kPa	322.87	Calculated Property
Pvap	2.23	kPa	336.30	Calculated Property
Pvap	4.85	kPa	349.73	Calculated Property
Pvap	9.87	kPa	363.17	Calculated Property
Pvap	18.96	kPa	376.60	Calculated Property
Pvap	34.60	kPa	390.03	Calculated Property
Pvap	60.34	kPa	403.47	Calculated Property
Pvap	101.05	kPa	416.90	Calculated Property

Property	Value	Unit	Temperature (K)	Source
ρl	[862.28; 428.55]	kg/m3	[240.65; 582.98]	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			8.94038e+01
Coefficient B			2.92150e-01
Coefficient C			5.95000e+02
Coefficient D			3.32090e-01
Temperature range, min.			240.65
Temperature range, max.			582.98
ρl	862.28	kg/m3	240.65	Calculated Property
ρl	829.85	kg/m3	278.69	Calculated Property
ρl	796.07	kg/m3	316.72	Calculated Property
ρl	760.63	kg/m3	354.76	Calculated Property
ρl	723.06	kg/m3	392.80	Calculated Property
ρl	682.66	kg/m3	430.83	Calculated Property
ρl	638.27	kg/m3	468.87	Calculated Property
ρl	587.66	kg/m3	506.91	Calculated Property
ρl	525.57	kg/m3	544.94	Calculated Property
ρl	428.55	kg/m3	582.98	Calculated Property

Property	Value	Unit	Temperature (K)	Source
γ	[0.03; 0.01]	N/m	[241.15; 416.85]	Jasper (1972), surface tension of pure liquid compounds Compiled value
Equation			Y = A + B·T + C·T² + D·T³ + E·T⁴ Y is γ in N/m, T in K
Coefficient A			5.70639e-02
Coefficient B			-1.06000e-04
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Temperature range, min.			241.15
Temperature range, max.			416.85
γ	0.03	N/m	241.15	Calculated Property
γ	0.03	N/m	260.67	Calculated Property
γ	0.03	N/m	280.19	Calculated Property
γ	0.03	N/m	299.72	Calculated Property
γ	0.02	N/m	319.24	Calculated Property
γ	0.02	N/m	338.76	Calculated Property
γ	0.02	N/m	358.28	Calculated Property
γ	0.02	N/m	377.81	Calculated Property
γ	0.01	N/m	397.33	Calculated Property
γ	0.01	N/m	416.85	Calculated Property
γ	[0.03; 4.55e-04]	N/m	[240.65; 582.98]	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			-9.31600e-03
Coefficient B			8.20960e+00
Coefficient C			-3.02660e+00
Coefficient D			4.05080e-04
Coefficient E			-5.44920e-06
Temperature range, min.			240.65
Temperature range, max.			582.98
γ	0.03	N/m	240.65	Calculated Property
γ	0.03	N/m	278.69	Calculated Property
γ	0.02	N/m	316.72	Calculated Property
γ	0.02	N/m	354.76	Calculated Property
γ	0.02	N/m	392.80	Calculated Property
γ	0.01	N/m	430.83	Calculated Property
γ	0.01	N/m	468.87	Calculated Property
γ	0.01	N/m	506.91	Calculated Property
γ	0.00	N/m	544.94	Calculated Property
γ	4.55e-04	N/m	582.98	Calculated Property

Property	Value	Unit	Temperature (K)	Source
λgas	[0.01; 0.11]	W/m×K	[240.65; 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			2.00790e+03
Coefficient B			1.04030e+00
Coefficient C			2.32500e+10
Coefficient D			-1.55600e+11
Temperature range, min.			240.65
Temperature range, max.			1000.00
λgas	0.01	W/m×K	240.65	Calculated Property
λgas	0.01	W/m×K	325.02	Calculated Property
λgas	0.02	W/m×K	409.39	Calculated Property
λgas	0.03	W/m×K	493.77	Calculated Property
λgas	0.04	W/m×K	578.14	Calculated Property
λgas	0.05	W/m×K	662.51	Calculated Property
λgas	0.06	W/m×K	746.88	Calculated Property
λgas	0.08	W/m×K	831.26	Calculated Property
λgas	0.10	W/m×K	915.63	Calculated Property
λgas	0.11	W/m×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
λliquid	[0.15; 0.08]	W/m×K	[240.65; 553.15]	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			-8.41760e-02
Coefficient B			-5.33330e+00
Coefficient C			-1.17530e+00
Coefficient D			-9.44270e-04
Coefficient E			-3.07280e-07
Temperature range, min.			240.65
Temperature range, max.			553.15
λliquid	0.15	W/m×K	240.65	Calculated Property
λliquid	0.14	W/m×K	275.37	Calculated Property
λliquid	0.14	W/m×K	310.09	Calculated Property
λliquid	0.13	W/m×K	344.82	Calculated Property
λliquid	0.12	W/m×K	379.54	Calculated Property
λliquid	0.11	W/m×K	414.26	Calculated Property
λliquid	0.10	W/m×K	448.98	Calculated Property
λliquid	0.10	W/m×K	483.71	Calculated Property
λliquid	0.09	W/m×K	518.43	Calculated Property
λliquid	0.08	W/m×K	553.15	Calculated Property

Similar Compounds

Find more compounds similar to 4-Heptanone.

Mixtures

• 4-Heptanone + 2-Pyrrolidinone, 1-methyl-
• 4-Heptanone + Octane
• 4-Heptanone + Nonane
• 4-Heptanone + Decane

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.
• Jasper (1972), surface tension of pure liquid compounds ChEDL chemicals 1.5.2, from Jasper, J. J. The Surface Tension of Pure Liquid Compounds. J. Phys. Chem. Ref. Data 1972, 1, 841-1010 (as transcribed in Lange's Handbook).
• 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
• Thermodynamics of binary mixtures of N-methyl-2-pyrrolidinone and ketone. Experimental results and modelling of the solid-liquid equilibrium and vapou-liquid equilibrium. The Modified UNIFAC (Do) model characterization
• (Liquid + liquid) phase equilibria of 1-alkyl-3-methylimidazolium methylsulfate with alcohols, or ethers, or ketones
• Distribution of Butyric Acid between Water and Several Solvents
• Vapor Liquid Equilibria Measurements for the Nine n-Alkane/Ketone Pairs Comprising 2-, 3-, and 4-Heptanone with n-Octane, n-Nonane, and n-Decane
• Phase Equilibria of (1-Ethyl-3-methylimidazolium Ethylsulfate + Hydrocarbon, + Ketone, and + Ether) Binary Systems
• Joback Method
• KDB
• Aqueous Solubility Prediction Method
• Estimated Solubility Method
• McGowan Method
• NIST Webbook
• The Yaws Handbook of Vapor Pressure

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