Chemical Properties of Acetaldehyde (CAS 75-07-0)

InChI

InChI=1S/C2H4O/c1-2-3/h2H,1H3

InChI Key

IKHGUXGNUITLKF-UHFFFAOYSA-N

Formula

C2H4O

SMILES

CC=O

Molecular Weight¹

44.05

CAS

75-07-0

Other Names

• Acetaldehyd
• Acetic aldehyde
• Acetylaldehyde
• Aldehyde acetique
• Aldeide acetica
• CH3CHO
• Ethyl aldehyde
• NCI-C56326
• NSC 7594
• Octowy aldehyd
• Rcra waste number U001
• UN 1089
• ethanal
• methanecarbaldehyde

• ω : Acentric Factor.
• PAff : Proton affinity (kJ/mol).
• T_ig : Autoignition Temperature (K).
• 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).
• 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).
• R_g : Radius of Gyration.
• 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 : Polar retention indices.
• Δ_fusS : Entropy of fusion at a given temperature (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 thermal conductivity (W/m×K).
• λ : 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	[0.2907; 0.3030]
ω	0.2907		ChemSep v8.3 pure component data Compiled value
ω	0.3030		KDB
PAff	768.50	kJ/mol	NIST
Tig	458.15	K	KDB
BasG	736.50	kJ/mol	NIST
μ	[2.50; 2.69]	debye
μ	2.69	debye	ChemSep v8.3 pure component data Compiled value
μ	2.50	debye	KDB
EA	3.50e-04	eV	NIST
LFL	4.00	% in Air	KDB
UFL	60.00	% in Air	KDB
Tflash,cc	223.15	K	KDB
Tflash,oc	235.37	K	KDB
ΔfG°	[-133.40; -133.30]	kJ/mol
ΔfG°	-133.30	kJ/mol	ChemSep v8.3 pure component data Compiled value
ΔfG°	-133.40	kJ/mol	KDB
Rg	2.0210		KDB
ΔfH°gas	[-170.70; -164.40]	kJ/mol
ΔfH°gas	-166.40	kJ/mol	ChemSep v8.3 pure component data Compiled value
ΔfH°gas	-164.40	kJ/mol	KDB
ΔfH°gas	-170.70 ± 1.50	kJ/mol	NIST
ΔfH°liquid	-196.40 ± 1.50	kJ/mol	NIST
ΔfusH°	3.23	kJ/mol	Joback Calculated Property
ΔvapH°	[25.70; 26.90]	kJ/mol
ΔvapH°	26.12	kJ/mol	NIST
ΔvapH°	25.70	kJ/mol	NIST
ΔvapH°	26.90	kJ/mol	NIST
IE	[10.14; 10.90]	eV
IE	10.23 ± 0.00	eV	NIST
IE	10.22	eV	NIST
IE	10.22	eV	NIST
IE	10.14 ± 0.02	eV	NIST
IE	10.22	eV	NIST
IE	10.20	eV	NIST
IE	10.23 ± 0.01	eV	NIST
IE	10.23	eV	NIST
IE	10.20	eV	NIST
IE	10.20	eV	NIST
IE	10.20 ± 0.02	eV	NIST
IE	10.21	eV	NIST
IE	10.19	eV	NIST
IE	10.22 ± 0.01	eV	NIST
IE	10.23 ± 0.00	eV	NIST
IE	10.24 ± 0.02	eV	NIST
IE	10.22 ± 0.01	eV	NIST
IE	10.22 ± 0.01	eV	NIST
IE	10.20 ± 0.02	eV	NIST
IE	10.20	eV	NIST
IE	10.22 ± 0.01	eV	NIST
IE	10.20 ± 0.03	eV	NIST
IE	10.25 ± 0.03	eV	NIST
IE	10.21 ± 0.01	eV	NIST
IE	10.20 ± 0.03	eV	NIST
IE	10.23 ± 0.00	eV	NIST
IE	10.24	eV	NIST
IE	10.30	eV	NIST
IE	10.23	eV	NIST
IE	Outlier 10.90	eV	NIST
IE	10.26	eV	NIST
log10WS	0.90		Relay (1.0) Calculated Property
logPoct/wat	0.205		Crippen Calculated Property
McVol	40.610	ml/mol	McGowan Calculated Property
NFPA Fire	4		KDB
NFPA Health	2		KDB
NFPA Safety	2		KDB
Pc	[5550.00; 5570.00]	kPa
Pc	5550.00	kPa	ChemSep v8.3 pure component data Compiled value
Pc	5570.00	kPa	KDB
Ptriple	3.23e-04	kPa	ChemSep v8.3 pure component data Compiled value
ρc	285.90 ± 4.41	kg/m3	NIST
Inp	[342.00; 427.00]
Inp	360.88		NIST
Inp	364.00		NIST
Inp	362.60		NIST
Inp	361.60		NIST
Inp	360.37		NIST
Inp	360.50		NIST
Inp	360.64		NIST
Inp	360.37		NIST
Inp	361.00		NIST
Inp	360.00		NIST
Inp	361.00		NIST
Inp	360.00		NIST
Inp	410.00		NIST
Inp	369.00		NIST
Inp	367.00		NIST
Inp	346.00		NIST
Inp	343.00		NIST
Inp	363.00		NIST
Inp	380.00		NIST
Inp	363.00		NIST
Inp	389.00		NIST
Inp	363.00		NIST
Inp	363.00		NIST
Inp	358.00		NIST
Inp	363.00		NIST
Inp	381.00		NIST
Inp	381.00		NIST
Inp	381.00		NIST
Inp	381.00		NIST
Inp	359.00		NIST
Inp	Outlier 418.00		NIST
Inp	360.00		NIST
Inp	356.00		NIST
Inp	365.00		NIST
Inp	372.00		NIST
Inp	Outlier 412.00		NIST
Inp	Outlier 412.00		NIST
Inp	360.00		NIST
Inp	400.00		NIST
Inp	363.00		NIST
Inp	381.00		NIST
Inp	Outlier 427.00		NIST
Inp	372.00		NIST
Inp	360.00		NIST
Inp	373.00		NIST
Inp	352.00		NIST
Inp	342.00		NIST
Inp	352.00		NIST
Inp	372.00		NIST
Inp	404.00		NIST
Inp	400.00		NIST
Inp	363.00		NIST
Inp	363.00		NIST
Inp	410.00		NIST
Inp	363.00		NIST
Inp	372.00		NIST
Inp	363.00		NIST
Inp	360.88		NIST
Inp	360.50		NIST
Inp	361.00		NIST
Inp	346.00		NIST
Inp	381.00		NIST
Inp	352.00		NIST
Inp	400.00		NIST
Inp	372.00		NIST
Inp	Outlier 418.00		NIST
I	[655.00; 750.00]
I	718.80		NIST
I	715.80		NIST
I	716.60		NIST
I	717.80		NIST
I	723.00		NIST
I	714.00		NIST
I	690.00		NIST
I	744.00		NIST
I	690.00		NIST
I	689.00		NIST
I	690.00		NIST
I	690.00		NIST
I	692.00		NIST
I	681.00		NIST
I	714.00		NIST
I	689.00		NIST
I	692.00		NIST
I	715.00		NIST
I	677.00		NIST
I	724.00		NIST
I	677.00		NIST
I	694.00		NIST
I	669.00		NIST
I	677.00		NIST
I	Outlier 655.00		NIST
I	668.00		NIST
I	669.00		NIST
I	669.00		NIST
I	709.00		NIST
I	710.00		NIST
I	716.00		NIST
I	716.00		NIST
I	686.00		NIST
I	714.00		NIST
I	718.00		NIST
I	700.00		NIST
I	700.00		NIST
I	700.00		NIST
I	700.00		NIST
I	727.00		NIST
I	695.00		NIST
I	714.00		NIST
I	712.00		NIST
I	713.00		NIST
I	713.00		NIST
I	690.00		NIST
I	712.00		NIST
I	728.00		NIST
I	703.00		NIST
I	718.00		NIST
I	677.00		NIST
I	700.00		NIST
I	Outlier 750.00		NIST
I	701.00		NIST
I	704.00		NIST
I	690.00		NIST
I	703.00		NIST
I	714.00		NIST
I	680.00		NIST
I	732.00		NIST
I	700.00		NIST
I	715.00		NIST
I	735.00		NIST
I	724.00		NIST
I	727.00		NIST
I	727.00		NIST
I	Outlier 659.00		NIST
I	707.00		NIST
I	692.00		NIST
I	702.00		NIST
I	690.00		NIST
I	716.00		NIST
I	702.00		NIST
I	690.00		NIST
I	Outlier 748.00		NIST
I	690.00		NIST
I	690.00		NIST
I	723.00		NIST
I	695.00		NIST
I	732.00		NIST
I	727.00		NIST
I	702.00		NIST
I	Outlier 748.00		NIST
I	714.00		NIST
I	712.00		NIST
I	700.00		NIST
I	703.00		NIST
I	724.00		NIST
I	Outlier 655.00		NIST
I	710.00		NIST
I	718.00		NIST
S°liquid	117.30	J/mol×K	NIST
Tboil	[293.00; 308.87]	K
Tboil	293.84	K	Isobaric Vapor Liquid Equilibrium for Three Binary Systems of Acetaldehyde + Ethanol, Ethyl Acetate, 1-Butanol at 101.3 kPa
Tboil	294.00	K	ChemSep v8.3 pure component data Compiled value
Tboil	293.20	K	KDB
Tboil	294.00	K	NIST
Tboil	293.30	K	NIST
Tboil	294.00	K	NIST
Tboil	293.55 ± 0.50	K	NIST
Tboil	293.90 ± 0.50	K	NIST
Tboil	295.70 ± 1.00	K	NIST
Tboil	294.15 ± 1.00	K	NIST
Tboil	293.90 ± 2.00	K	NIST
Tboil	294.65 ± 0.30	K	NIST
Tboil	294.15 ± 1.00	K	NIST
Tboil	293.00 ± 3.00	K	NIST
Tboil	294.95 ± 0.20	K	NIST
Tboil	293.65 ± 0.20	K	NIST
Tboil	Outlier 308.87 ± 0.20	K	NIST
Tboil	293.85 ± 0.60	K	NIST
Tboil	293.35 ± 0.50	K	NIST
Tboil	293.90 ± 0.50	K	NIST
Tboil	293.75 ± 0.40	K	NIST
Tboil	294.20 ± 2.00	K	NIST
Tboil	294.00 ± 0.50	K	NIST
Tboil	293.35 ± 0.20	K	NIST
Tboil	294.15 ± 1.00	K	NIST
Tboil	294.15 ± 1.00	K	NIST
Tboil	293.95 ± 0.50	K	NIST
Tboil	294.15 ± 1.00	K	NIST
Tboil	294.65 ± 1.00	K	NIST
Tboil	293.95 ± 1.00	K	NIST
Tboil	293.95 ± 1.00	K	NIST
Tc	[454.70; 466.00]	K
Tc	466.00	K	ChemSep v8.3 pure component data Compiled value
Tc	466.00	K	KDB
Tc	466.00 ± 2.00	K	NIST
Tc	461.00 ± 2.00	K	NIST
Tc	454.70 ± 6.00	K	NIST
Tfus	[148.60; 154.70]	K
Tfus	150.15	K	ChemSep v8.3 pure component data Compiled value
Tfus	150.00	K	KDB
Tfus	152.00	K	NIST
Tfus	150.15 ± 1.00	K	NIST
Tfus	149.80 ± 0.60	K	NIST
Tfus	149.80 ± 0.60	K	NIST
Tfus	149.90 ± 1.00	K	NIST
Tfus	149.70 ± 0.60	K	NIST
Tfus	149.70 ± 1.00	K	NIST
Tfus	150.55 ± 0.30	K	NIST
Tfus	149.70 ± 1.00	K	NIST
Tfus	148.60 ± 2.00	K	NIST
Tfus	149.70 ± 1.00	K	NIST
Tfus	149.90 ± 3.00	K	NIST
Tfus	148.60 ± 3.00	K	NIST
Tfus	Outlier 154.70 ± 0.20	K	NIST
Tfus	152.60 ± 4.00	K	NIST
Tfus	152.50 ± 3.00	K	NIST
Ttriple	150.15	K	ChemSep v8.3 pure component data Compiled value
UQi	1.80		ChemSep v8.3 pure component data Compiled value
URi	1.90		ChemSep v8.3 pure component data Compiled value
Vc	[0.154; 0.154]	m3/kmol
Vc	0.154	m3/kmol	ChemSep v8.3 pure component data Compiled value
Vc	0.154	m3/kmol	KDB
Zc	[0.2210000; 0.2213880]
Zc	0.2210000		ChemSep v8.3 pure component data Compiled value
Zc	0.2213880		KDB
Zra	0.24		KDB

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[54.98; 67.45]	J/mol×K	[298.10; 422.40]
Cp,gas	54.98	J/mol×K	298.10	NIST
Cp,gas	58.03	J/mol×K	322.90	NIST
Cp,gas	62.43	J/mol×K	372.70	NIST
Cp,gas	67.45	J/mol×K	422.40	NIST
Cp,liquid	[89.05; 96.21]	J/mol×K	[273.00; 298.15]
Cp,liquid	96.21	J/mol×K	273.00	NIST
Cp,liquid	89.05	J/mol×K	298.15	NIST
ΔfusH	[1.72; 2.31]	kJ/mol	[149.78; 242.90]
ΔfusH	2.31	kJ/mol	149.78	NIST
ΔfusH	2.31	kJ/mol	149.80	NIST
ΔfusH	1.72	kJ/mol	242.90	NIST
ΔfusH	1.72	kJ/mol	242.90	NIST
ΔvapH	[25.70; 27.60]	kJ/mol	[283.00; 335.00]
ΔvapH	27.60	kJ/mol	283.00	NIST
ΔvapH	27.00	kJ/mol	290.00	NIST
ΔvapH	25.76	kJ/mol	293.30	NIST
ΔvapH	25.73	kJ/mol	293.80	KDB
ΔvapH	25.70 ± 0.20	kJ/mol	294.00	NIST
ΔvapH	26.30	kJ/mol	319.00	NIST
ΔvapH	26.00	kJ/mol	335.00	NIST
n0	[1.33280; 1.33700]		[293.15; 293.15]
n0	1.33700		293.15	Vapor Liquid Equilibrium Data for 2,3-Pentanedione + (Acetaldehyde or Acetone) at (100, 150, and 200) kPa
n0	1.33280		293.15	Geometric Structures of Associating Component Optimized toward Correlation and Prediction of Isobaric Vapor Liquid Equilibria for Binary and Ternary Mixtures of Ethanal, Ethanol, and Ethanoic Acid
ρl	778.00	kg/m3	293.00	KDB
ΔfusS	[7.06; 15.43]	J/mol×K	[149.78; 242.90]
ΔfusS	15.43	J/mol×K	149.78	NIST
ΔfusS	15.42	J/mol×K	149.80	NIST
ΔfusS	7.06	J/mol×K	242.90	NIST
γ	0.02	N/m	293.20	KDB

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[46.35; 129.97]	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			4.25780e+01
Coefficient B			-7.30390e+02
Coefficient C			4.97524e+00
Coefficient D			3.34850e-05
Coefficient E			-3.02960e-08
Comment			ChemSep eq 16, IdealGasHeatCapacityCp
Temperature range, min.			200.00
Temperature range, max.			1500.00
Cp,gas	46.35	J/mol×K	200.00	Calculated Property
Cp,gas	60.09	J/mol×K	344.44	Calculated Property
Cp,gas	75.38	J/mol×K	488.89	Calculated Property
Cp,gas	88.69	J/mol×K	633.33	Calculated Property
Cp,gas	99.63	J/mol×K	777.78	Calculated Property
Cp,gas	108.49	J/mol×K	922.22	Calculated Property
Cp,gas	115.67	J/mol×K	1066.67	Calculated Property
Cp,gas	121.49	J/mol×K	1211.11	Calculated Property
Cp,gas	126.19	J/mol×K	1355.56	Calculated Property
Cp,gas	129.97	J/mol×K	1500.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
Cp,liquid	[82.28; 111.66]	J/mol×K	[150.15; 294.00]	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			7.20770e+01
Coefficient B			1.06840e+03
Coefficient C			-1.33353e+01
Coefficient D			6.87800e-02
Coefficient E			-7.91540e-05
Comment			ChemSep eq 16, LiquidHeatCapacityCp
Temperature range, min.			150.15
Temperature range, max.			294.00
Cp,liquid	82.28	J/mol×K	150.15	Calculated Property
Cp,liquid	82.43	J/mol×K	166.13	Calculated Property
Cp,liquid	83.46	J/mol×K	182.12	Calculated Property
Cp,liquid	85.23	J/mol×K	198.10	Calculated Property
Cp,liquid	87.75	J/mol×K	214.08	Calculated Property
Cp,liquid	91.05	J/mol×K	230.07	Calculated Property
Cp,liquid	95.14	J/mol×K	246.05	Calculated Property
Cp,liquid	100.01	J/mol×K	262.03	Calculated Property
Cp,liquid	105.58	J/mol×K	278.02	Calculated Property
Cp,liquid	111.66	J/mol×K	294.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0034444; 0.0000728]	Pa×s	[150.15; 444.26]	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			-4.03160e+00
Coefficient B			6.23050e+02
Coefficient C			-1.15890e+00
Coefficient D			8.45830e-07
Coefficient E			2.00000e+00
Comment			ChemSep eq 101, LiquidViscosity
Temperature range, min.			150.15
Temperature range, max.			444.26
η	0.0034444	Pa×s	150.15	Calculated Property
η	0.0013179	Pa×s	182.83	Calculated Property
η	0.0006569	Pa×s	215.51	Calculated Property
η	0.0003861	Pa×s	248.19	Calculated Property
η	0.0002535	Pa×s	280.87	Calculated Property
η	0.0001800	Pa×s	313.54	Calculated Property
η	0.0001355	Pa×s	346.22	Calculated Property
η	0.0001066	Pa×s	378.90	Calculated Property
η	0.0000869	Pa×s	411.58	Calculated Property
η	0.0000728	Pa×s	444.26	Calculated Property

Property	Value	Unit	Temperature (K)	Source
ΔvapH	[32.66; 9.60]	kJ/mol	[150.15; 449.38]	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			1.45650e+01
Coefficient B			-6.19250e+00
Coefficient C			1.85590e+01
Coefficient D			-2.07070e+01
Coefficient E			8.56050e+00
Critical temperature, Tc (K)			4.66000e+02
Comment			ChemSep eq 106, HeatOfVaporization
Temperature range, min.			150.15
Temperature range, max.			449.38
ΔvapH	32.66	kJ/mol	150.15	Calculated Property
ΔvapH	32.00	kJ/mol	183.40	Calculated Property
ΔvapH	30.46	kJ/mol	216.65	Calculated Property
ΔvapH	28.52	kJ/mol	249.89	Calculated Property
ΔvapH	26.51	kJ/mol	283.14	Calculated Property
ΔvapH	24.51	kJ/mol	316.39	Calculated Property
ΔvapH	22.36	kJ/mol	349.64	Calculated Property
ΔvapH	19.68	kJ/mol	382.88	Calculated Property
ΔvapH	15.79	kJ/mol	416.13	Calculated Property
ΔvapH	9.60	kJ/mol	449.38	Calculated Property

Property	Value	Unit	Temperature (K)	Source
Pvap	[1.33; 5665.55]	kPa	[215.02; 466.00]	The Yaws Handbook of Vapor Pressure
Equation			ln(Y) = A + B/(T + C) Y is Pvap in kPa, T in K
Coefficient A			1.48385e+01
Coefficient B			-2.70857e+03
Coefficient C			-2.88780e+01
Temperature range, min.			215.02
Temperature range, max.			466.00
Pvap	1.33	kPa	215.02	Calculated Property
Pvap	8.88	kPa	242.91	Calculated Property
Pvap	38.17	kPa	270.79	Calculated Property
Pvap	121.44	kPa	298.68	Calculated Property
Pvap	311.02	kPa	326.57	Calculated Property
Pvap	678.03	kPa	354.45	Calculated Property
Pvap	1307.09	kPa	382.34	Calculated Property
Pvap	2289.12	kPa	410.23	Calculated Property
Pvap	3714.20	kPa	438.11	Calculated Property
Pvap	5665.55	kPa	466.00	Calculated Property
Pvap	[2.50e-04; 5352.91]	kPa	[150.15; 466.00]	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			1.25698e+02
Coefficient B			-7.08688e+03
Coefficient C			-1.74248e+01
Coefficient D			2.37457e-05
Coefficient E			2.00000e+00
Comment			ChemSep eq 101, VaporPressure
Temperature range, min.			150.15
Temperature range, max.			466.00
Pvap	2.50e-04	kPa	150.15	Calculated Property
Pvap	0.07	kPa	185.24	Calculated Property
Pvap	1.97	kPa	220.34	Calculated Property
Pvap	18.50	kPa	255.43	Calculated Property
Pvap	88.32	kPa	290.53	Calculated Property
Pvap	280.42	kPa	325.62	Calculated Property
Pvap	693.80	kPa	360.72	Calculated Property
Pvap	1475.57	kPa	395.81	Calculated Property
Pvap	2874.65	kPa	430.91	Calculated Property
Pvap	5352.91	kPa	466.00	Calculated Property
Pvap	[2.25e-04; 5590.96]	kPa	[150.15; 461.00]	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			1.30805e+02
Coefficient B			-7.24125e+03
Coefficient C			-1.82713e+01
Coefficient D			2.63363e-05
Coefficient E			0.00000e+00
Temperature range, min.			150.15
Temperature range, max.			461.00
Pvap	2.25e-04	kPa	150.15	Calculated Property
Pvap	0.06	kPa	184.69	Calculated Property
Pvap	1.74	kPa	219.23	Calculated Property
Pvap	16.58	kPa	253.77	Calculated Property
Pvap	80.50	kPa	288.31	Calculated Property
Pvap	260.81	kPa	322.84	Calculated Property
Pvap	660.60	kPa	357.38	Calculated Property
Pvap	1443.38	kPa	391.92	Calculated Property
Pvap	2899.80	kPa	426.46	Calculated Property
Pvap	5590.96	kPa	461.00	Calculated Property
Pvap	[101.05; 1026.10]	kPa	[293.40; 377.50]	NIST
Equation			ln(Y) = A + B/(T + C) Y is Pvap in kPa, T in K
Coefficient A			1.30934e+01
Coefficient B			-1.89478e+03
Coefficient C			-6.98990e+01
Reference			Bull, Seregrennaja, et al., 1963, 2
Comment			Coefficents calculated by NIST from author's data.
Temperature range, min.			293.40
Temperature range, max.			377.50
Pvap	101.05	kPa	293.40	Calculated Property
Pvap	142.01	kPa	302.74	Calculated Property
Pvap	194.39	kPa	312.09	Calculated Property
Pvap	259.95	kPa	321.43	Calculated Property
Pvap	340.47	kPa	330.78	Calculated Property
Pvap	437.68	kPa	340.12	Calculated Property
Pvap	553.27	kPa	349.47	Calculated Property
Pvap	688.87	kPa	358.81	Calculated Property
Pvap	846.01	kPa	368.16	Calculated Property
Pvap	1026.10	kPa	377.50	Calculated Property
Pvap	[43.95; 168.34]	kPa	[272.90; 307.60]	NIST
Equation			ln(Y) = A + B/(T + C) Y is Pvap in kPa, T in K
Coefficient A			1.65517e+01
Coefficient B			-3.76952e+03
Coefficient C			2.23170e+01
Reference			Coles and Popper, 1950
Comment			Coefficents calculated by NIST from author's data.
Temperature range, min.			272.90
Temperature range, max.			307.60
Pvap	43.95	kPa	272.90	Calculated Property
Pvap	51.81	kPa	276.76	Calculated Property
Pvap	60.83	kPa	280.61	Calculated Property
Pvap	71.12	kPa	284.47	Calculated Property
Pvap	82.84	kPa	288.32	Calculated Property
Pvap	96.13	kPa	292.18	Calculated Property
Pvap	111.15	kPa	296.03	Calculated Property
Pvap	128.07	kPa	299.89	Calculated Property
Pvap	147.07	kPa	303.74	Calculated Property
Pvap	168.34	kPa	307.60	Calculated Property
Pvap	[101.05; 1026.10]	kPa	[293.40; 377.50]	NIST
Equation			ln(Y) = A + B/(T + C) Y is Pvap in kPa, T in K
Coefficient A			1.30934e+01
Coefficient B			-1.89478e+03
Coefficient C			-6.98990e+01
Reference			Bull, Seregrennaja, et al., 1963
Comment			Coefficents calculated by NIST from author's data.
Temperature range, min.			293.40
Temperature range, max.			377.50
Pvap	101.05	kPa	293.40	Calculated Property
Pvap	142.01	kPa	302.74	Calculated Property
Pvap	194.39	kPa	312.09	Calculated Property
Pvap	259.95	kPa	321.43	Calculated Property
Pvap	340.47	kPa	330.78	Calculated Property
Pvap	437.68	kPa	340.12	Calculated Property
Pvap	553.27	kPa	349.47	Calculated Property
Pvap	688.87	kPa	358.81	Calculated Property
Pvap	846.01	kPa	368.16	Calculated Property
Pvap	1026.10	kPa	377.50	Calculated Property

Property	Value	Unit	Temperature (K)	Source
ρl	[944.15; 434.25]	kg/m3	[150.15; 455.37]	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			5.43873e+01
Coefficient B			2.23920e-01
Coefficient C			4.66000e+02
Coefficient D			2.50250e-01
Comment			ChemSep eq 105, LiquidDensity
Temperature range, min.			150.15
Temperature range, max.			455.37
ρl	944.15	kg/m3	150.15	Calculated Property
ρl	908.90	kg/m3	184.06	Calculated Property
ρl	871.82	kg/m3	217.98	Calculated Property
ρl	832.48	kg/m3	251.89	Calculated Property
ρl	790.28	kg/m3	285.80	Calculated Property
ρl	744.27	kg/m3	319.72	Calculated Property
ρl	692.90	kg/m3	353.63	Calculated Property
ρl	633.18	kg/m3	387.54	Calculated Property
ρl	557.91	kg/m3	421.46	Calculated Property
ρl	434.25	kg/m3	455.37	Calculated Property

Property	Value	Unit	Temperature (K)	Source
γ	[0.04; 9.26e-04]	N/m	[150.15; 449.38]	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			-3.86090e-02
Coefficient B			8.14690e+00
Coefficient C			-2.31560e+00
Coefficient D			-1.29550e-03
Coefficient E			-1.73770e-06
Comment			ChemSep eq 16, SurfaceTension
Temperature range, min.			150.15
Temperature range, max.			449.38
γ	0.04	N/m	150.15	Calculated Property
γ	0.04	N/m	183.40	Calculated Property
γ	0.03	N/m	216.65	Calculated Property
γ	0.03	N/m	249.89	Calculated Property
γ	0.02	N/m	283.14	Calculated Property
γ	0.02	N/m	316.39	Calculated Property
γ	0.01	N/m	349.64	Calculated Property
γ	0.01	N/m	382.88	Calculated Property
γ	0.00	N/m	416.13	Calculated Property
γ	9.26e-04	N/m	449.38	Calculated Property

Property	Value	Unit	Temperature (K)	Source
λ	[0.00; 0.10]	W/m×K	[150.15; 994.00]	ChemSep v8.3 pure component data Compiled value
Equation			Y = A·T^B / (1 + C/T + D/T²) Y is λ in W/m×K, T in K
Coefficient A			3.26270e-07
Coefficient B			1.82930e+00
Coefficient C			-2.30730e+01
Coefficient D			3.39770e+03
Comment			ChemSep eq 102, VaporThermalConductivity
Temperature range, min.			150.15
Temperature range, max.			994.00
λ	0.00	W/m×K	150.15	Calculated Property
λ	0.01	W/m×K	243.91	Calculated Property
λ	0.01	W/m×K	337.67	Calculated Property
λ	0.02	W/m×K	431.43	Calculated Property
λ	0.03	W/m×K	525.19	Calculated Property
λ	0.04	W/m×K	618.96	Calculated Property
λ	0.06	W/m×K	712.72	Calculated Property
λ	0.07	W/m×K	806.48	Calculated Property
λ	0.08	W/m×K	900.24	Calculated Property
λ	0.10	W/m×K	994.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
λ	[0.25; 0.14]	W/m×K	[150.15; 410.93]	ChemSep v8.3 pure component data Compiled value
Equation			Y = A + exp(B/T + C + D·T + E·T²) Y is λ in W/m×K, T in K
Coefficient A			1.43920e-02
Coefficient B			-4.04500e+01
Coefficient C			-6.73230e-01
Coefficient D			-3.61910e-03
Coefficient E			1.10830e-06
Comment			ChemSep eq 16, LiquidThermalConductivity
Temperature range, min.			150.15
Temperature range, max.			410.93
λ	0.25	W/m×K	150.15	Calculated Property
λ	0.23	W/m×K	179.13	Calculated Property
λ	0.22	W/m×K	208.10	Calculated Property
λ	0.21	W/m×K	237.08	Calculated Property
λ	0.20	W/m×K	266.05	Calculated Property
λ	0.18	W/m×K	295.03	Calculated Property
λ	0.17	W/m×K	324.00	Calculated Property
λ	0.16	W/m×K	352.98	Calculated Property
λ	0.15	W/m×K	381.95	Calculated Property
λ	0.14	W/m×K	410.93	Calculated Property

Similar Compounds

Find more compounds similar to Acetaldehyde.

Mixtures

• Acetaldehyde + Water
• 1,2-Ethanediol + Acetaldehyde
• Acetaldehyde + 1,3-Dioxolan-2-one
• 2,3-Pentadione + Acetaldehyde
• Ethanol + Acetaldehyde
• Acetaldehyde + Acetic acid
• Ethanol + Acetaldehyde + Acetic acid
• Acetaldehyde + Ethyl Acetate
• 1-Butanol + Acetaldehyde

Sources

• KDB Vapor Pressure Data
• Cheméo Relay (1.0)
• 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
• Crippen Method
• Quantitative NMR spectroscopy of binary liquid mixtures (aldehyde + alcohol) Part I: Acetaldehyde + (methanol or ethanol or 1-propanol)
• Measurement of activity coefficients at infinite dilution of organic solutes in the ionic liquid 1-hexyl-1,4-diaza[2.2.2]bicyclooctanium bis(trifluoromethylsulfonyl)imide using gas-liquid chromatography
• Isobaric Vapor Liquid Equilibrium for Three Binary Systems of Acetaldehyde + Ethanol, Ethyl Acetate, 1-Butanol at 101.3 kPa
• Vapor Liquid Equilibrium Data for 2,3-Pentanedione + (Acetaldehyde or Acetone) at (100, 150, and 200) kPa
• Infinite Dilution Activity Coefficients in Ethylene Glycol and Ethylene Carbonate
• Determination of Henry s Law Constants and Activity Coefficients at Infinite Dilution of Flavor Compounds in Water at 298 K with a Gas-Chromatographic Method
• Geometric Structures of Associating Component Optimized toward Correlation and Prediction of Isobaric Vapor Liquid Equilibria for Binary and Ternary Mixtures of Ethanal, Ethanol, and Ethanoic Acid
• Joback Method
• KDB
• McGowan Method
• NIST Webbook
• The Yaws Handbook of Vapor Pressure

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