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

• ACETIC ALDEHYDE
• Acetaldehyd
• Acetylaldehyde
• Aldehyde acetique
• Aldeide acetica
• CH3CHO
• ETHANAL
• Ethyl aldehyde
• NCI-C56326
• NSC 7594
• Octowy aldehyd
• Rcra waste number U001
• UN 1089
• 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_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).
• T_fus : Normal melting (fusion) point (K).
• 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	0.3030		KDB
PAff	768.50	kJ/mol	NIST
Tig	458.15	K	KDB
BasG	736.50	kJ/mol	NIST
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	kJ/mol	KDB
Rg	2.0210		KDB
ΔfH°gas	[-170.70; -164.40]	kJ/mol
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	5570.00	kPa	KDB
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	381.00		NIST
Inp	352.00		NIST
Inp	400.00		NIST
Inp	372.00		NIST
Inp	Outlier 418.00		NIST
Inp	360.88		NIST
Inp	360.50		NIST
Inp	361.00		NIST
Inp	346.00		NIST
Inp	363.00		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	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
I	732.00		NIST
I	727.00		NIST
I	702.00		NIST
I	Outlier 748.00		NIST
S°liquid	117.30	J/mol×K	NIST
Tboil	[293.00; 308.87]	K
Tboil	293.20	K	KDB
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	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	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	150.00	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
Vc	0.154	m3/kmol	KDB
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
η	[0.0002044; 0.0017159]	Pa×s	[154.30; 293.82]
η	0.0017159	Pa×s	154.30	Joback Calculated Property
η	0.0009542	Pa×s	177.55	Joback Calculated Property
η	0.0006079	Pa×s	200.81	Joback Calculated Property
η	0.0004252	Pa×s	224.06	Joback Calculated Property
η	0.0003181	Pa×s	247.31	Joback Calculated Property
η	0.0002502	Pa×s	270.57	Joback Calculated Property
η	0.0002044	Pa×s	293.82	Joback Calculated Property
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
Pvap	[1.33; 5665.55]	kPa	[215.02; 466.00]	The Yaws Handbook of Vapor Pressure
Equation			ln(Pvp) = A + B/(T + C)
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	[2.25e-04; 5590.96]	kPa	[150.15; 461.00]	KDB Vapor Pressure Data
Equation			ln(Pvp) = A + B/T + C*ln(T) + D*T^2
Coefficient A			1.30805e+02
Coefficient B			-7.24125e+03
Coefficient C			-1.82713e+01
Coefficient D			2.63363e-05
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

Similar Compounds

Find more compounds similar to Acetaldehyde.

Mixtures

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

Sources

• KDB Pure (Korean Thermophysical Properties Databank)
• KDB Vapor Pressure Data
• Cheméo Relay (1.0)
• 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

Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more. Take the time to validate and double check the source of the data.
Outlier This icon means that the value is more than 2 standard deviations away from the property mean.