Chemical Properties of Butanal (CAS 123-72-8)

InChI

InChI=1S/C4H8O/c1-2-3-4-5/h4H,2-3H2,1H3

InChI Key

ZTQSAGDEMFDKMZ-UHFFFAOYSA-N

Formula

C4H8O

SMILES

CCCC=O

Molecular Weight¹

72.11

CAS

123-72-8

Other Names

• 1-Butanal
• 1-propanecarbaldehyde
• Aldehyde butyrique
• Aldeide butirrica
• Butal
• Butaldehyde
• Butalyde
• Butan-1-al
• Butanaldehyde
• Butyl aldehyde
• Butyral
• Butyraldehyd
• Butyric aldehyde
• Butyrylaldehyde
• NCI-C56291
• NSC 62779
• UN 1129
• butyraldehyde
• n-Butanal
• n-Butyl aldehyde
• n-C3H7CHO
• n-butyraldehyde
• propanecarbaldehyde

• ω : Acentric Factor.
• PAff : Proton affinity (kJ/mol).
• T_ig : Autoignition Temperature (K).
• 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).
• EA : Electron affinity (eV).
• LFL : Lower Flammability Limit (% in Air).
• UFL : Upper Flammability Limit (% in Air).
• T_flash,cc : Flash Point (Closed Cup Method) (K).
• T_flash,oc : Flash Point (Open Cup Method) (K).
• 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).
• NFPA Fire : NFPA Fire Rating.
• NFPA Health : NFPA Health Rating.
• NFPA Safety : NFPA Safety 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.
• 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	[0.2774; 0.3520]
ω	0.3520		PSRK revision IV (2005), critical constants and acentric factors of 1000 components Compiled value
ω	0.2774		ChemSep v8.3 pure component data Compiled value
ω	0.3520		KDB
PAff	792.70	kJ/mol	NIST
Tig	503.15	K	KDB
BasG	760.80	kJ/mol	NIST
ΔcH°liquid	[-2478.70; -2477.10]	kJ/mol
ΔcH°liquid	-2477.10 ± 1.40	kJ/mol	NIST
ΔcH°liquid	-2478.70 ± 0.71	kJ/mol	NIST
μ	[2.60; 2.72]	debye
μ	2.72	debye	ChemSep v8.3 pure component data Compiled value
μ	2.60	debye	KDB
EA	6.94e-04	eV	NIST
LFL	2.50	% in Air	KDB
UFL	10.60	% in Air	KDB
Tflash,cc	263.71	K	KDB
Tflash,oc	266.48	K	KDB
ΔfG°	[-115.39; -114.80]	kJ/mol
ΔfG°	-115.39	kJ/mol	ChemSep v8.3 pure component data Compiled value
ΔfG°	-114.80	kJ/mol	KDB
ΔfH°gas	[-211.80; -204.40]	kJ/mol
ΔfH°gas	-207.00	kJ/mol	ChemSep v8.3 pure component data Compiled value
ΔfH°gas	-205.20	kJ/mol	KDB
ΔfH°gas	Outlier -211.80 ± 0.92	kJ/mol	NIST
ΔfH°gas	-204.40 ± 1.40	kJ/mol	NIST
ΔfH°gas	-206.70	kJ/mol	NIST
ΔfH°gas	-205.10	kJ/mol	NIST
ΔfH°liquid	[-245.40; -238.10]	kJ/mol
ΔfH°liquid	-245.40 ± 0.84	kJ/mol	NIST
ΔfH°liquid	-238.10 ± 1.50	kJ/mol	NIST
ΔfH°liquid	-240.30	kJ/mol	NIST
ΔfH°liquid	-238.70 ± 0.71	kJ/mol	NIST
ΔfusH°	8.40	kJ/mol	Joback Calculated Property
ΔvapH°	[33.20; 33.70]	kJ/mol
ΔvapH°	Outlier 33.20	kJ/mol	NIST
ΔvapH°	33.60	kJ/mol	NIST
ΔvapH°	33.70 ± 0.40	kJ/mol	NIST
ΔvapH°	33.70 ± 0.40	kJ/mol	NIST
ΔvapH°	33.70	kJ/mol	NIST
ΔvapH°	33.70 ± 0.40	kJ/mol	NIST
ΔvapH°	33.70 ± 0.40	kJ/mol	NIST
ΔvapH°	33.70	kJ/mol	NIST
IE	[9.73; 9.86]	eV
IE	9.82 ± 0.04	eV	NIST
IE	9.83	eV	NIST
IE	9.80	eV	NIST
IE	9.73 ± 0.01	eV	NIST
IE	9.84 ± 0.01	eV	NIST
IE	9.73 ± 0.03	eV	NIST
IE	9.86 ± 0.02	eV	NIST
IE	9.85	eV	NIST
IE	9.83	eV	NIST
log10WS	[-0.01; -1.00e-02]
log10WS	-1.00e-02		Aq. Solubility Prediction
log10WS	-0.01		Estimated Solubility
logPoct/wat	0.985		Crippen Calculated Property
McVol	68.790	ml/mol	McGowan Calculated Property
NFPA Fire	3		KDB
NFPA Health	2		KDB
NFPA Safety	1		KDB
Pc	[4000.00; 4320.00]	kPa
Pc	4320.00	kPa	IUPAC Vapor-Liquid Critical Properties of Elements and Compounds, part 7 Compiled value
Pc	4316.44	kPa	PSRK revision IV (2005), critical constants and acentric factors of 1000 components Compiled value
Pc	4000.00	kPa	ChemSep v8.3 pure component data Compiled value
Pc	4320.00	kPa	KDB
Pc	4320.00 ± 100.00	kPa	NIST
Ptriple	3.17e-04	kPa	ChemSep v8.3 pure component data Compiled value
ρc	279.77 ± 5.05	kg/m3	NIST
Inp	[542.10; 618.79]
Inp	571.50		NIST
Inp	570.91		NIST
Inp	568.78		NIST
Inp	569.15		NIST
Inp	571.57		NIST
Inp	573.77		NIST
Inp	575.99		NIST
Inp	578.18		NIST
Inp	580.49		NIST
Inp	583.70		NIST
Inp	587.66		NIST
Inp	588.95		NIST
Inp	Outlier 615.44		NIST
Inp	Outlier 618.79		NIST
Inp	573.33		NIST
Inp	570.90		NIST
Inp	570.70		NIST
Inp	571.10		NIST
Inp	571.90		NIST
Inp	572.54		NIST
Inp	Outlier 542.10		NIST
Inp	573.00		NIST
Inp	571.00		NIST
Inp	572.00		NIST
Inp	572.00		NIST
Inp	574.00		NIST
Inp	574.00		NIST
Inp	556.00		NIST
Inp	563.00		NIST
Inp	553.00		NIST
Inp	554.00		NIST
Inp	568.00		NIST
Inp	555.00		NIST
Inp	553.00		NIST
Inp	586.00		NIST
Inp	586.00		NIST
Inp	605.00		NIST
Inp	594.00		NIST
Inp	593.00		NIST
Inp	600.00		NIST
Inp	561.00		NIST
Inp	589.50		NIST
Inp	593.00		NIST
Inp	600.00		NIST
Inp	575.00		NIST
Inp	571.00		NIST
Inp	570.00		NIST
Inp	Outlier 613.00		NIST
Inp	598.00		NIST
Inp	596.00		NIST
Inp	595.00		NIST
Inp	596.00		NIST
Inp	571.00		NIST
Inp	562.00		NIST
Inp	Outlier 545.00		NIST
Inp	593.00		NIST
Inp	598.00		NIST
Inp	601.00		NIST
Inp	593.00		NIST
Inp	563.31		NIST
Inp	595.00		NIST
Inp	596.00		NIST
Inp	596.00		NIST
Inp	587.00		NIST
Inp	564.00		NIST
Inp	565.00		NIST
Inp	576.00		NIST
Inp	583.00		NIST
Inp	582.00		NIST
Inp	Outlier 614.00		NIST
Inp	572.00		NIST
Inp	591.00		NIST
Inp	571.00		NIST
Inp	550.00		NIST
Inp	571.00		NIST
Inp	593.00		NIST
Inp	564.00		NIST
Inp	607.00		NIST
Inp	568.00		NIST
Inp	563.00		NIST
Inp	563.00		NIST
Inp	568.00		NIST
Inp	589.00		NIST
Inp	575.00		NIST
Inp	574.00		NIST
Inp	598.00		NIST
Inp	571.50		NIST
Inp	573.77		NIST
Inp	587.66		NIST
Inp	570.90		NIST
Inp	Outlier 542.10		NIST
Inp	574.00		NIST
Inp	554.00		NIST
Inp	593.00		NIST
Inp	595.00		NIST
Inp	565.00		NIST
Inp	586.00		NIST
Inp	605.00		NIST
Ip	[830.00; 911.46]
Ip	854.46		NIST
Ip	867.47		NIST
Ip	874.62		NIST
Ip	891.30		NIST
Ip	911.46		NIST
Ip	907.20		NIST
Ip	894.80		NIST
Ip	897.80		NIST
Ip	901.80		NIST
Ip	906.00		NIST
Ip	867.00		NIST
Ip	853.00		NIST
Ip	839.00		NIST
Ip	875.00		NIST
Ip	875.00		NIST
Ip	904.00		NIST
Ip	867.00		NIST
Ip	867.00		NIST
Ip	867.00		NIST
Ip	877.00		NIST
Ip	899.00		NIST
Ip	891.00		NIST
Ip	877.00		NIST
Ip	866.00		NIST
Ip	883.00		NIST
Ip	878.00		NIST
Ip	880.00		NIST
Ip	883.00		NIST
Ip	881.00		NIST
Ip	Outlier 830.00		NIST
Ip	Outlier 831.00		NIST
Ip	862.00		NIST
Ip	887.00		NIST
Ip	878.00		NIST
Ip	895.00		NIST
Ip	899.00		NIST
Ip	905.00		NIST
Ip	880.00		NIST
Ip	895.00		NIST
Ip	895.00		NIST
Ip	886.00		NIST
Ip	867.00		NIST
Ip	839.00		NIST
Ip	839.00		NIST
Ip	839.00		NIST
Ip	877.00		NIST
Ip	890.00		NIST
Ip	864.00		NIST
Ip	875.00		NIST
Ip	891.00		NIST
Ip	861.00		NIST
Ip	866.00		NIST
Ip	861.00		NIST
Ip	878.00		NIST
Ip	880.00		NIST
Ip	859.00		NIST
Ip	867.00		NIST
Ip	837.00		NIST
Ip	895.00		NIST
Ip	877.00		NIST
Ip	865.00		NIST
Ip	Outlier 832.00		NIST
Ip	885.00		NIST
Ip	875.00		NIST
Ip	880.00		NIST
Ip	898.00		NIST
Ip	910.00		NIST
Ip	883.00		NIST
Ip	Outlier 830.00		NIST
Ip	867.00		NIST
Ip	891.00		NIST
Ip	880.00		NIST
Ip	877.00		NIST
Ip	853.00		NIST
S°gas	344.80 ± 4.20	J/mol×K	NIST
S°liquid	[242.70; 246.90]	J/mol×K
S°liquid	242.70	J/mol×K	NIST
S°liquid	246.90	J/mol×K	NIST
Tboil	[75.70; 1021.99]	K
Tboil	347.95	K	ChemSep v8.3 pure component data Compiled value
Tboil	347.90	K	KDB
Tboil	348.70	K	NIST
Tboil	Outlier 1021.99 ± 0.10	K	NIST
Tboil	347.95 ± 0.40	K	NIST
Tboil	347.94 ± 0.30	K	NIST
Tboil	347.95	K	NIST
Tboil	347.40 ± 0.50	K	NIST
Tboil	347.65 ± 0.50	K	NIST
Tboil	347.85 ± 1.00	K	NIST
Tboil	344.90 ± 3.00	K	NIST
Tboil	347.35 ± 1.00	K	NIST
Tboil	348.35 ± 0.50	K	NIST
Tboil	348.40 ± 0.60	K	NIST
Tboil	346.00 ± 3.00	K	NIST
Tboil	348.35 ± 0.50	K	NIST
Tboil	348.65 ± 1.00	K	NIST
Tboil	349.15 ± 2.00	K	NIST
Tboil	348.65 ± 1.00	K	NIST
Tboil	347.75 ± 0.50	K	NIST
Tboil	347.95 ± 0.30	K	NIST
Tboil	346.15 ± 2.00	K	NIST
Tboil	348.05 ± 1.00	K	NIST
Tboil	346.65 ± 1.00	K	NIST
Tboil	346.65 ± 2.00	K	NIST
Tboil	347.85 ± 0.50	K	NIST
Tboil	346.00 ± 3.00	K	NIST
Tboil	350.15 ± 1.00	K	NIST
Tboil	347.40 ± 1.00	K	NIST
Tboil	Outlier 75.70 ± 0.50	K	NIST
Tboil	348.15 ± 2.00	K	NIST
Tboil	345.65 ± 3.00	K	NIST
Tboil	348.15 ± 2.00	K	NIST
Tboil	346.65 ± 2.00	K	NIST
Tboil	348.15 ± 3.00	K	NIST
Tboil	348.15 ± 2.00	K	NIST
Tc	[521.15; 537.20]	K
Tc	537.00	K	IUPAC Vapor-Liquid Critical Properties of Elements and Compounds, part 7 Compiled value
Tc	537.20	K	PSRK revision IV (2005), critical constants and acentric factors of 1000 components Compiled value
Tc	Outlier 521.15	K	ChemSep v8.3 pure component data Compiled value
Tc	537.20	K	KDB
Tc	537.10 ± 4.00	K	NIST
Tc	537.20 ± 0.80	K	NIST
Tfus	[174.00; 177.00]	K
Tfus	175.15	K	Jean-Claude Bradley Open Melting Point Dataset (2014, CC0) Compiled value
Tfus	176.75	K	ChemSep v8.3 pure component data Compiled value
Tfus	174.00	K	KDB
Tfus	175.40	K	Aq. Solubility Prediction
Tfus	176.75	K	NIST
Tfus	176.60 ± 1.00	K	NIST
Tfus	176.60 ± 1.00	K	NIST
Tfus	174.00 ± 2.00	K	NIST
Tfus	177.00 ± 2.00	K	NIST
Tfus	176.55 ± 0.30	K	NIST
Tfus	174.00 ± 1.00	K	NIST
Tfus	176.10 ± 1.00	K	NIST
Tfus	174.20 ± 0.50	K	NIST
Ttriple	[176.28; 176.80]	K
Ttriple	176.75	K	ChemSep v8.3 pure component data Compiled value
Ttriple	176.28 ± 0.02	K	NIST
Ttriple	176.80 ± 0.20	K	NIST
Ttriple	176.80 ± 0.20	K	NIST
Ttriple	176.28 ± 0.02	K	NIST
Ttriple	176.80 ± 0.20	K	NIST
UQi	2.88		ChemSep v8.3 pure component data Compiled value
URi	3.25		ChemSep v8.3 pure component data Compiled value
Vc	[0.258; 0.263]	m3/kmol
Vc	0.258	m3/kmol	IUPAC Vapor-Liquid Critical Properties of Elements and Compounds, part 7 Compiled value
Vc	0.258	m3/kmol	PSRK revision IV (2005), critical constants and acentric factors of 1000 components Compiled value
Vc	0.263	m3/kmol	ChemSep v8.3 pure component data Compiled value
Vc	0.258	m3/kmol	KDB
Zc	[0.2495350; 0.2500000]
Zc	0.2500000		IUPAC Vapor-Liquid Critical Properties of Elements and Compounds, part 7 Compiled value
Zc	0.2500000		ChemSep v8.3 pure component data Compiled value
Zc	0.2495350		KDB
Zra	0.25		ChemSep v8.3 pure component data Compiled value

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,liquid	[163.51; 164.70]	J/mol×K	[298.15; 298.15]
Cp,liquid	164.70	J/mol×K	298.15	NIST
Cp,liquid	163.51	J/mol×K	298.15	NIST
ΔfusH	[10.77; 11.10]	kJ/mol	[176.28; 176.80]
ΔfusH	10.77	kJ/mol	176.28	NIST
ΔfusH	10.77	kJ/mol	176.28	NIST
ΔfusH	11.09	kJ/mol	176.80	NIST
ΔfusH	11.10	kJ/mol	176.80	NIST
ΔfusH	11.09	kJ/mol	176.80	NIST
ΔfusH	11.10	kJ/mol	176.80	NIST
ΔvapH	[31.51; 34.20]	kJ/mol	[305.50; 347.90]
ΔvapH	33.90	kJ/mol	305.50	NIST
ΔvapH	34.20	kJ/mol	321.00	NIST
ΔvapH	33.30	kJ/mol	325.50	NIST
ΔvapH	32.90	kJ/mol	339.00	NIST
ΔvapH	31.51	kJ/mol	347.90	KDB
n0	1.38390		293.15	Liquid Liquid Equilibrium Data of Water + Butyric Acid + {Butanal or n-Butanol} Ternary Systems at 293.15, 308.15, and 323.15 K
ρl	[771.30; 802.00]	kg/m3	[293.00; 323.15]
ρl	802.00	kg/m3	293.00	KDB
ρl	796.99	kg/m3	298.15	Binary mixtures of ([C4mim][NTf2] + molecular organic solvents): Thermophysical, acoustic and transport properties at various compositions and temperatures
ρl	791.80	kg/m3	303.15	Binary mixtures of ([C4mim][NTf2] + molecular organic solvents): Thermophysical, acoustic and transport properties at various compositions and temperatures
ρl	786.41	kg/m3	308.15	Binary mixtures of ([C4mim][NTf2] + molecular organic solvents): Thermophysical, acoustic and transport properties at various compositions and temperatures
ρl	781.37	kg/m3	313.15	Binary mixtures of ([C4mim][NTf2] + molecular organic solvents): Thermophysical, acoustic and transport properties at various compositions and temperatures
ρl	776.39	kg/m3	318.15	Binary mixtures of ([C4mim][NTf2] + molecular organic solvents): Thermophysical, acoustic and transport properties at various compositions and temperatures
ρl	771.30	kg/m3	323.15	Binary mixtures of ([C4mim][NTf2] + molecular organic solvents): Thermophysical, acoustic and transport properties at various compositions and temperatures
ΔfusS	[61.11; 62.81]	J/mol×K	[176.28; 176.80]
ΔfusS	61.11	J/mol×K	176.28	NIST
ΔfusS	61.11	J/mol×K	176.28	NIST
ΔfusS	62.81	J/mol×K	176.80	NIST
ΔfusS	62.81	J/mol×K	176.80	NIST
γ	0.02	N/m	293.20	KDB

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[88.81; 268.55]	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			8.47910e+01
Coefficient B			-9.54830e+02
Coefficient C			6.25924e+00
Coefficient D			-5.01030e-04
Coefficient E			1.52220e-07
Temperature range, min.			200.00
Temperature range, max.			1500.00
Cp,gas	88.81	J/mol×K	200.00	Calculated Property
Cp,gas	112.80	J/mol×K	344.44	Calculated Property
Cp,gas	144.99	J/mol×K	488.89	Calculated Property
Cp,gas	174.39	J/mol×K	633.33	Calculated Property
Cp,gas	198.54	J/mol×K	777.78	Calculated Property
Cp,gas	217.92	J/mol×K	922.22	Calculated Property
Cp,gas	233.63	J/mol×K	1066.67	Calculated Property
Cp,gas	246.75	J/mol×K	1211.11	Calculated Property
Cp,gas	258.16	J/mol×K	1355.56	Calculated Property
Cp,gas	268.55	J/mol×K	1500.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
Cp,liquid	[146.79; 166.49]	J/mol×K	[176.75; 328.29]	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			1.46790e+02
Coefficient B			-6.56940e+03
Coefficient C			3.47452e+01
Coefficient D			-1.11600e-02
Coefficient E			-7.50650e-05
Temperature range, min.			176.75
Temperature range, max.			328.29
Cp,liquid	146.79	J/mol×K	176.75	Calculated Property
Cp,liquid	146.81	J/mol×K	193.59	Calculated Property
Cp,liquid	146.91	J/mol×K	210.43	Calculated Property
Cp,liquid	147.35	J/mol×K	227.26	Calculated Property
Cp,liquid	148.68	J/mol×K	244.10	Calculated Property
Cp,liquid	151.48	J/mol×K	260.94	Calculated Property
Cp,liquid	155.84	J/mol×K	277.78	Calculated Property
Cp,liquid	160.85	J/mol×K	294.61	Calculated Property
Cp,liquid	164.88	J/mol×K	311.45	Calculated Property
Cp,liquid	166.49	J/mol×K	328.29	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0036095; 0.0001832]	Pa×s	[176.75; 400.00]	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			-1.42070e+01
Coefficient B			1.01490e+03
Coefficient C			5.59920e-01
Coefficient D			-1.81290e-06
Coefficient E			2.00000e+00
Temperature range, min.			176.75
Temperature range, max.			400.00
η	0.0036095	Pa×s	176.75	Calculated Property
η	0.0018840	Pa×s	201.56	Calculated Property
η	0.0011358	Pa×s	226.36	Calculated Property
η	0.0007568	Pa×s	251.17	Calculated Property
η	0.0005418	Pa×s	275.97	Calculated Property
η	0.0004091	Pa×s	300.78	Calculated Property
η	0.0003215	Pa×s	325.58	Calculated Property
η	0.0002606	Pa×s	350.39	Calculated Property
η	0.0002164	Pa×s	375.19	Calculated Property
η	0.0001832	Pa×s	400.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
ΔvapH	[42.19; 8.68]	kJ/mol	[176.75; 518.23]	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			4.11820e+01
Coefficient B			-1.36073e+00
Coefficient C			5.94925e+00
Coefficient D			-7.21321e+00
Coefficient E			2.92674e+00
Critical temperature, Tc (K)			5.21150e+02
Temperature range, min.			176.75
Temperature range, max.			518.23
ΔvapH	42.19	kJ/mol	176.75	Calculated Property
ΔvapH	39.67	kJ/mol	214.69	Calculated Property
ΔvapH	37.00	kJ/mol	252.63	Calculated Property
ΔvapH	34.38	kJ/mol	290.58	Calculated Property
ΔvapH	31.91	kJ/mol	328.52	Calculated Property
ΔvapH	29.54	kJ/mol	366.46	Calculated Property
ΔvapH	27.09	kJ/mol	404.40	Calculated Property
ΔvapH	24.18	kJ/mol	442.35	Calculated Property
ΔvapH	19.86	kJ/mol	480.29	Calculated Property
ΔvapH	8.68	kJ/mol	518.23	Calculated Property

Property	Value	Unit	Temperature (K)	Source
Pvap	[1.33; 202.66]	kPa	[256.01; 370.69]	The Yaws Handbook of Vapor Pressure
Equation			ln(Y) = A + B/(T + C) Y is Pvap in kPa, T in K
Coefficient A			1.45982e+01
Coefficient B			-3.03353e+03
Coefficient C			-4.40350e+01
Temperature range, min.			256.01
Temperature range, max.			370.69
Pvap	1.33	kPa	256.01	Calculated Property
Pvap	3.00	kPa	268.75	Calculated Property
Pvap	6.19	kPa	281.49	Calculated Property
Pvap	11.87	kPa	294.24	Calculated Property
Pvap	21.36	kPa	306.98	Calculated Property
Pvap	36.40	kPa	319.72	Calculated Property
Pvap	59.19	kPa	332.46	Calculated Property
Pvap	92.36	kPa	345.21	Calculated Property
Pvap	139.01	kPa	357.95	Calculated Property
Pvap	202.66	kPa	370.69	Calculated Property
Pvap	[3.08e-04; 3290.91]	kPa	[176.75; 521.15]	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			9.26105e+01
Coefficient B			-7.11227e+03
Coefficient C			-1.17407e+01
Coefficient D			9.52118e-06
Coefficient E			2.00000e+00
Comment			Range stopped at Tc; ChemSep gives it to 537.2 K.
Temperature range, min.			176.75
Temperature range, max.			521.15
Pvap	3.08e-04	kPa	176.75	Calculated Property
Pvap	0.05	kPa	215.02	Calculated Property
Pvap	1.18	kPa	253.28	Calculated Property
Pvap	10.96	kPa	291.55	Calculated Property
Pvap	54.76	kPa	329.82	Calculated Property
Pvap	183.16	kPa	368.08	Calculated Property
Pvap	469.15	kPa	406.35	Calculated Property
Pvap	1003.00	kPa	444.62	Calculated Property
Pvap	1895.03	kPa	482.88	Calculated Property
Pvap	3290.91	kPa	521.15	Calculated Property
Pvap	[2.63e-04; 4452.12]	kPa	[176.75; 535.36]	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			1.06744e+02
Coefficient B			-7.59444e+03
Coefficient C			-1.39976e+01
Coefficient D			1.32212e-05
Coefficient E			0.00000e+00
Temperature range, min.			176.75
Temperature range, max.			535.36
Pvap	2.63e-04	kPa	176.75	Calculated Property
Pvap	0.05	kPa	216.60	Calculated Property
Pvap	1.43	kPa	256.44	Calculated Property
Pvap	13.56	kPa	296.29	Calculated Property
Pvap	67.53	kPa	336.13	Calculated Property
Pvap	224.56	kPa	375.98	Calculated Property
Pvap	576.41	kPa	415.82	Calculated Property
Pvap	1251.51	kPa	455.67	Calculated Property
Pvap	2440.54	kPa	495.51	Calculated Property
Pvap	4452.12	kPa	535.36	Calculated Property
Pvap	[19.29; 97.76]	kPa	[303.86; 347.18]	NIST
Equation			ln(Y) = A + B/(T + C) Y is Pvap in kPa, T in K
Coefficient A			1.28740e+01
Coefficient B			-2.19402e+03
Coefficient C			-8.25690e+01
Reference			Seprakova, Paulech, et al., 1959, 2
Comment			Coefficents calculated by NIST from author's data.
Temperature range, min.			303.86
Temperature range, max.			347.18
Pvap	19.29	kPa	303.86	Calculated Property
Pvap	23.82	kPa	308.67	Calculated Property
Pvap	29.16	kPa	313.49	Calculated Property
Pvap	35.40	kPa	318.30	Calculated Property
Pvap	42.65	kPa	323.11	Calculated Property
Pvap	51.00	kPa	327.93	Calculated Property
Pvap	60.58	kPa	332.74	Calculated Property
Pvap	71.49	kPa	337.55	Calculated Property
Pvap	83.84	kPa	342.37	Calculated Property
Pvap	97.76	kPa	347.18	Calculated Property
Pvap	[19.29; 97.76]	kPa	[303.86; 347.18]	NIST
Equation			ln(Y) = A + B/(T + C) Y is Pvap in kPa, T in K
Coefficient A			1.28740e+01
Coefficient B			-2.19402e+03
Coefficient C			-8.25690e+01
Reference			Seprakova, Paulech, et al., 1959
Comment			Coefficents calculated by NIST from author's data.
Temperature range, min.			303.86
Temperature range, max.			347.18
Pvap	19.29	kPa	303.86	Calculated Property
Pvap	23.82	kPa	308.67	Calculated Property
Pvap	29.16	kPa	313.49	Calculated Property
Pvap	35.40	kPa	318.30	Calculated Property
Pvap	42.65	kPa	323.11	Calculated Property
Pvap	51.00	kPa	327.93	Calculated Property
Pvap	60.58	kPa	332.74	Calculated Property
Pvap	71.49	kPa	337.55	Calculated Property
Pvap	83.84	kPa	342.37	Calculated Property
Pvap	97.76	kPa	347.18	Calculated Property

Property	Value	Unit	Temperature (K)	Source
ρl	[907.06; 326.80]	kg/m3	[176.75; 521.15]	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			7.72613e+01
Coefficient B			2.72300e-01
Coefficient C			5.21300e+02
Coefficient D			2.72250e-01
Comment			Range stopped at Tc; ChemSep gives it to 521.29 K.
Temperature range, min.			176.75
Temperature range, max.			521.15
ρl	907.06	kg/m3	176.75	Calculated Property
ρl	874.41	kg/m3	215.02	Calculated Property
ρl	839.99	kg/m3	253.28	Calculated Property
ρl	803.36	kg/m3	291.55	Calculated Property
ρl	763.91	kg/m3	329.82	Calculated Property
ρl	720.62	kg/m3	368.08	Calculated Property
ρl	671.81	kg/m3	406.35	Calculated Property
ρl	614.02	kg/m3	444.62	Calculated Property
ρl	537.87	kg/m3	482.88	Calculated Property
ρl	326.80	kg/m3	521.15	Calculated Property

Property	Value	Unit	Temperature (K)	Source
γ	[0.04; 0.02]	N/m	[174.15; 347.95]	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			5.19364e-02
Coefficient B			-9.25000e-05
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Temperature range, min.			174.15
Temperature range, max.			347.95
γ	0.04	N/m	174.15	Calculated Property
γ	0.03	N/m	193.46	Calculated Property
γ	0.03	N/m	212.77	Calculated Property
γ	0.03	N/m	232.08	Calculated Property
γ	0.03	N/m	251.39	Calculated Property
γ	0.03	N/m	270.71	Calculated Property
γ	0.03	N/m	290.02	Calculated Property
γ	0.02	N/m	309.33	Calculated Property
γ	0.02	N/m	328.64	Calculated Property
γ	0.02	N/m	347.95	Calculated Property
γ	[0.04; 2.31e-06]	N/m	[176.75; 517.21]	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			-7.45940e-03
Coefficient B			1.91360e+02
Coefficient C			-4.96770e+00
Coefficient D			7.74440e-03
Coefficient E			-1.60960e-05
Comment			Range stopped where the equation turns negative; ChemSep gives it to 518.23 K.
Temperature range, min.			176.75
Temperature range, max.			517.21
γ	0.04	N/m	176.75	Calculated Property
γ	0.04	N/m	214.58	Calculated Property
γ	0.03	N/m	252.41	Calculated Property
γ	0.03	N/m	290.24	Calculated Property
γ	0.02	N/m	328.06	Calculated Property
γ	0.02	N/m	365.89	Calculated Property
γ	0.01	N/m	403.72	Calculated Property
γ	0.01	N/m	441.55	Calculated Property
γ	0.00	N/m	479.38	Calculated Property
γ	2.31e-06	N/m	517.21	Calculated Property

Property	Value	Unit	Temperature (K)	Source
λgas	[0.00; 0.11]	W/m×K	[176.75; 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			7.84270e+02
Coefficient B			9.83920e-01
Coefficient C			6.40600e+09
Coefficient D			-1.34610e+11
Temperature range, min.			176.75
Temperature range, max.			1000.00
λgas	0.00	W/m×K	176.75	Calculated Property
λgas	0.01	W/m×K	268.22	Calculated Property
λgas	0.02	W/m×K	359.69	Calculated Property
λgas	0.02	W/m×K	451.17	Calculated Property
λgas	0.03	W/m×K	542.64	Calculated Property
λgas	0.05	W/m×K	634.11	Calculated Property
λgas	0.06	W/m×K	725.58	Calculated Property
λgas	0.08	W/m×K	817.06	Calculated Property
λgas	0.09	W/m×K	908.53	Calculated Property
λgas	0.11	W/m×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
λliquid	[0.18; 0.12]	W/m×K	[174.95; 382.15]	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			5.41710e-02
Coefficient B			3.01890e-01
Coefficient C			-1.90420e+00
Coefficient D			-5.44050e-04
Coefficient E			-3.73870e-06
Temperature range, min.			174.95
Temperature range, max.			382.15
λliquid	0.18	W/m×K	174.95	Calculated Property
λliquid	0.17	W/m×K	197.97	Calculated Property
λliquid	0.16	W/m×K	220.99	Calculated Property
λliquid	0.16	W/m×K	244.02	Calculated Property
λliquid	0.15	W/m×K	267.04	Calculated Property
λliquid	0.15	W/m×K	290.06	Calculated Property
λliquid	0.14	W/m×K	313.08	Calculated Property
λliquid	0.14	W/m×K	336.11	Calculated Property
λliquid	0.13	W/m×K	359.13	Calculated Property
λliquid	0.12	W/m×K	382.15	Calculated Property

Similar Compounds

Find more compounds similar to Butanal.

Mixtures

• Butanal + Butanoic acid + Water
• Butanal + Water
• Butanal + Carbon monoxide

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
• Activity coefficients at infinite dilution of organic solvents and water in 1-butyl-3-methylimidazolium dicyanamide. A literature review of hexane/hex-1-ene separation
• High selective water/butan-1-ol separation on investigation of limiting activity coefficients with [P8,8,8,8][[NTf2] ionic liquid
• Separation of binary mixtures based on limiting activity coefficients data using specific ammonium-based ionic liquid and modelling of thermodynamic functions
• Thermodynamics and activity coefficients at infinite dilution for organic solutes in the ionic liquid 1-butyl-1-methylpyrrolidinium dicyanamide
• New ionic liquid [P4,4,4,4][NTf2] in bio-butanol extraction on investigation of limiting activity coefficients
• Ammonium ionic liquids in extraction of bio-butan-1-ol from water phase using activity coefficients at infinite dilution
• Thermodynamics of solvation of some linear and branched aliphatic aldehydes in water and heptane
• Activity coefficients at infinite dilution and physicochemical properties for organic solutes and water in the ionic liquid 4-(2-methoxyethyl)-4-methylmorpholinium bis(trifluoromethylsulfonyl)-amide
• Measurements of activity coefficients at infinite dilution for organic solutes and water in the ionic liquid 1-hexyl-3-methylimidazolium tetracyanoborate
• Activity coefficients at infinite dilution and physicochemical properties for organic solutes and water in the ionic liquid 1-(2-methoxyethyl)-1-methylpiperidinium bis(trifluoromethylsulfonyl)-amide
• Activity coefficients at infinite dilution and physicochemical properties for organic solutes and water in the ionic liquid 1-(2-methoxyethyl)-1-methylpyrrolidinium bis(trifluoromethylsulfonyl)-amide
• Activity coefficients at infinite dilution and physicochemical properties for organic solutes and water in the ionic liquid 4-(2-methoxyethyl)-4-methylmorpholinium trifluorotris(perfluoroethyl)phosphate
• Activity coefficients at infinite dilution and physicochemical properties for organic solutes and water in the ionic liquid 1-(2-methoxyethyl)- 1-methylpiperidinium trifluorotris(perfluoroethyl)phosphate
• Activity coefficients at infinite dilution and physicochemical properties for organic solutes and water in the ionic liquid 1-(2-methoxyethyl)- 1-methylpyrrolidinium trifluorotris(perfluoroethyl)phosphate
• Activity coefficients at infinite dilution and physicochemical properties for organic solutes and water in the ionic liquid 1-(2-hydroxyethyl)- 3-methylimidazolium trifluorotris(perfluoroethyl)phosphate
• Quantitative NMR spectroscopy of binary liquid mixtures (aldehyde + alcohol). Part II: (Propanal or butanal or heptanal) + (methanol or ethanol or 1-propanol)
• Measurements of activity coefficients at infinite dilution for organic solutes and water in the ionic liquid 1-butyl-1-methylpyrrolidinium tricyanomethanide
• Thermodynamics and activity coefficients at infinite dilution for organic solutes and water in the ionic liquid 1-butyl-1-methylmorpholinium tricyanomethanide
• Thermodynamics and activity coefficients at infinite dilution for organic solutes, water and diols in the ionic liquid choline bis(trifluoromethylsulfonyl)imide
• Solvation parameter model and thermodynamic parameters in a dicationic ionic liquid based on pyrrolidinium
• Activity coefficients at infinite dilution and physicochemical properties for organic solutes and water in the ionic liquid 4-(3-hydroxypropyl)-4-methylmorpholinium bis(trifluoromethylsulfonyl)-amide
• Activity coefficients at infinite dilution, physicochemical and thermodynamic properties for organic solutes and water in the ionic liquid ethyl-dimethyl-(2-methoxyethyl)ammonium trifluorotris-(perfluoroethyl)phosphate
• Binary mixtures of ([C4mim][NTf2] + molecular organic solvents): Thermophysical, acoustic and transport properties at various compositions and temperatures
• A 1-alkylcyanopyridinium-based ionic liquid in the separation processes
• Thermodynamics and selectivity of separation based on activity coefficients at infinite dilution of various solutes in 1-allyl-3-methylimidazolium bis{(trifluoromethyl)sulfonyl}imide ionic liquid
• Thermodynamics and limiting activity coefficients measurements for organic solutes and water in the ionic liquid 1-dodecyl-3-methylimidzolium bis(trifluoromethylsulfonyl) imide
• Separation of binary mixtures hexane/hex-1-ene, cyclohexane/cyclohexene and ethylbenzene/styrene based on limiting activity coefficients
• Separation of water/butan-1-ol based on activity coefficients at infinite dilution in 1,3-didecyl-2-methylimidazolium dicyanamide ionic liquid
• Separation of binary mixtures hexane/hex-1-ene, cyclohexane/cyclohexene and ethylbenzene/styrene based on gamma infinity data measurements
• Activity coefficients at infinite dilution and physicochemical properties for organic solutes and water in the ionic liquid trihexyl-tetradecyl-phosphonium tricyanomethanide
• Thermodynamic study of molecular interaction-selectivity in separation processes based on limiting activity coefficients
• The use of ionic liquids for separation of binary hydrocarbons mixtures based on gamma infinity data measurements
• Solubility Measurement and Correlation of Carbon Monoxide (CO) in Butyraldehydes: n-Butyraldehyde and iso-Butyraldehyde
• Liquid Liquid Equilibrium Data of Water + Butyric Acid + {Butanal or n-Butanol} Ternary Systems at 293.15, 308.15, and 323.15 K
• Thermodynamic Parameters of a New Synthesized Tricationic Ionic Liquid Stationary Phase by Inverse Gas Chromatography
• Thermodynamic Properties of Mixtures Containing Ionic Liquids. 8. Activity Coefficients at Infinite Dilution of Hydrocarbons, Alcohols, Esters, and Aldehydes in 1-Hexyl-3-methylimidazolium Bis(trifluoromethylsulfonyl) Imide Using Gas-Liquid Chromatography
• Thermodynamic Properties of Mixtures Containing Ionic Liquids. 9. Activity Coefficients at Infinite Dilution of Hydrocarbons, Alcohols, Esters, and Aldehydes in Trimethyl-butylammonium Bis(trifluoromethylsulfonyl) Imide Using Gas-Liquid Chromatography and Static Method
• Experimental Study of Thermodynamic Properties of Mixtures Containing Ionic Liquid 1-Ethyl-3-methylimidazolium Ethyl Sulfate Using Gas-Liquid Chromatography and Transpiration Method
• Activity Coefficients at Infinite Dilution of Organic Compounds in Four New Imidazolium-Based Ionic Liquids
• Partition Coefficients of Organic Compounds in Four New Tetraalkylammonium Bis(trifluoromethylsulfonyl)imide Ionic Liquids Using Inverse Gas Chromatography
• Evaluation of the Performance of Trigeminal Tricationic Ionic Liquids for Separation Problems
• Activity Coefficients at Infinite Dilution of Organic Compounds in 1-Butyl-3-methylimidazolium Tetrafluoroborate Using Inverse Gas Chromatography
• Activity Coefficients at Infinite Dilution of Organic Compounds in Trihexyl(tetradecyl)phosphonium Bis(trifluoromethylsulfonyl)imide Using Inverse Gas Chromatography
• Partition Coefficients of Organic Compounds in New Imidazolium and Tetralkylammonium Based Ionic Liquids Using Inverse Gas Chromatography
• Study of Ether-, Alcohol-, or Cyano-Functionalized Ionic Liquids Using Inverse Gas Chromatography
• Joback Method
• KDB
• Aqueous Solubility Prediction Method
• Estimated Solubility Method
• McGowan Method
• NIST Webbook
• The Yaws Handbook of Vapor Pressure

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