Chemical Properties of 2-Propenal (CAS 107-02-8)

InChI

InChI=1S/C3H4O/c1-2-3-4/h2-3H,1H2

InChI Key

HGINCPLSRVDWNT-UHFFFAOYSA-N

Formula

C3H4O

SMILES

C=CC=O

Molecular Weight¹

56.06

CAS

107-02-8

Other Names

• 2-Propen-1-one
• 2-Propenaldehyde
• Acraldehyde
• Acraldehydeacroleina
• Acrolein
• Acroleina
• Acroleine
• Acrylaldehyd
• Acrylaldehyde
• Acrylic Aldehyde
• Akrolein
• Akroleina
• Aldehyde acrylique
• Aldeide acrilica
• Allyl aldehyde
• Aqualin
• Aqualine
• CH2=CHCHO
• Crolean
• Ethylene aldehyde
• Magnacide
• Magnacide H
• NSC 8819
• Prop-2-En-1-al
• Propenal
• Propylene aldehyde
• Rcra waste number P003
• Slimicide
• UN 1092

• 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).
• μ : Dipole Moment (debye).
• η : Dynamic viscosity (Pa×s).
• 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_fusH° : Enthalpy of fusion at standard conditions (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).
• ρ_l : Liquid Density (kg/m³).
• I_np : Non-polar retention indices.
• I : Polar retention indices.
• 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).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ω	0.3300		KDB
PAff	797.00	kJ/mol	NIST
Tig	507.04	K	KDB
BasG	765.10	kJ/mol	NIST
ΔcH°liquid	-1632.00	kJ/mol	NIST
μ	2.90	debye	KDB
LFL	2.80	% in Air	KDB
UFL	31.00	% in Air	KDB
Tflash,cc	255.37	K	KDB
Tflash,oc	248.15	K	KDB
ΔfG°	-65.19	kJ/mol	KDB
ΔfH°gas	-70.92	kJ/mol	KDB
ΔfusH°	4.54	kJ/mol	Joback Calculated Property
ΔvapH°	28.32	kJ/mol	Joback Calculated Property
IE	[10.10; 10.15]	eV
IE	10.11 ± 0.01	eV	NIST
IE	10.10	eV	NIST
IE	10.10	eV	NIST
IE	10.10	eV	NIST
IE	10.11	eV	NIST
IE	10.11	eV	NIST
IE	10.13	eV	NIST
IE	10.14 ± 0.06	eV	NIST
IE	10.10 ± 0.01	eV	NIST
IE	10.10 ± 0.01	eV	NIST
IE	Outlier 10.15	eV	NIST
log10WS	0.57		Estimat...
logPoct/wat	0.371		Crippen Calculated Property
McVol	50.400	ml/mol	McGowan Calculated Property
NFPA Fire	3		KDB
NFPA Health	3		KDB
NFPA Safety	2		KDB
Pc	5160.00	kPa	KDB
Inp	[446.00; 480.00]
Inp	464.00		NIST
Inp	463.00		NIST
Inp	463.00		NIST
Inp	463.00		NIST
Inp	469.00		NIST
Inp	Outlier 446.00		NIST
Inp	453.00		NIST
Inp	470.00		NIST
Inp	469.00		NIST
Inp	462.00		NIST
Inp	450.00		NIST
Inp	459.00		NIST
Inp	Outlier 480.00		NIST
Inp	465.00		NIST
Inp	470.00		NIST
Inp	470.00		NIST
I	[828.00; 876.10]
I	876.10		NIST
I	867.00		NIST
I	869.40		NIST
I	871.80		NIST
I	828.00		NIST
I	851.00		NIST
I	840.00		NIST
I	840.00		NIST
I	846.00		NIST
I	846.00		NIST
I	852.00		NIST
I	854.00		NIST
I	840.00		NIST
I	838.00		NIST
I	864.00		NIST
I	876.10		NIST
I	846.00		NIST
I	864.00		NIST
I	828.00		NIST
I	840.00		NIST
Tboil	[323.00; 370.05]	K
Tboil	326.00	K	KDB
Tboil	325.70	K	NIST
Tboil	325.42 ± 0.02	K	NIST
Tboil	325.70 ± 0.50	K	NIST
Tboil	326.15	K	NIST
Tboil	Outlier 370.05 ± 0.60	K	NIST
Tboil	325.60 ± 0.60	K	NIST
Tboil	325.30 ± 0.40	K	NIST
Tboil	323.00 ± 2.00	K	NIST
Tc	506.00	K	KDB
Tfus	[184.65; 186.15]	K
Tfus	186.00	K	KDB
Tfus	186.15	K	NIST
Tfus	185.50 ± 0.40	K	NIST
Tfus	184.65 ± 1.00	K	NIST
Vc	0.202	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[70.79; 95.13]	J/mol×K	[313.38; 489.60]
T(K) Ideal gas heat capacity (J/mol×K) 70 75 80 85 90 95 350 400 450
Cp,gas	70.79	J/mol×K	313.38	Joback Calculated Property
Cp,gas	75.32	J/mol×K	342.75	Joback Calculated Property
Cp,gas	79.65	J/mol×K	372.12	Joback Calculated Property
Cp,gas	83.80	J/mol×K	401.49	Joback Calculated Property
Cp,gas	87.75	J/mol×K	430.86	Joback Calculated Property
Cp,gas	91.53	J/mol×K	460.23	Joback Calculated Property
Cp,gas	95.13	J/mol×K	489.60	Joback Calculated Property
η	[0.0002315; 0.0018888]	Pa×s	[163.81; 313.38]
T(K) Dynamic viscosity (Pa×s) 5.00e-4 1.00e-3 1.50e-3 2.00e-3 200 250 300
η	0.0018888	Pa×s	163.81	Joback Calculated Property
η	0.0010567	Pa×s	188.74	Joback Calculated Property
η	0.0006769	Pa×s	213.67	Joback Calculated Property
η	0.0004759	Pa×s	238.59	Joback Calculated Property
η	0.0003577	Pa×s	263.52	Joback Calculated Property
η	0.0002824	Pa×s	288.45	Joback Calculated Property
η	0.0002315	Pa×s	313.38	Joback Calculated Property
ΔvapH	[30.90; 33.50]	kJ/mol	[267.00; 314.50]
ΔvapH	33.50	kJ/mol	267.00	NIST
ΔvapH	32.30	kJ/mol	278.00	NIST
ΔvapH	30.90	kJ/mol	314.50	NIST
ρl	839.00	kg/m3	293.00	KDB

Correlations

Property	Value	Unit	Temperature (K)	Source
Pvap	[1.33; 202.65]	kPa	[237.82; 352.81]	The Yaw...
Equation			ln(Pvp) = A + B/(T + C)
Coefficient A			1.45115e+01
Coefficient B			-2.99517e+03
Coefficient C			-2.72480e+01
Temperature range, min.			237.82
Temperature range, max.			352.81
T(K) Vapor pressure (kPa) 0 50 100 150 200 250 300 350
Pvap	1.33	kPa	237.82	Calculated Property
Pvap	3.01	kPa	250.60	Calculated Property
Pvap	6.21	kPa	263.37	Calculated Property
Pvap	11.92	kPa	276.15	Calculated Property
Pvap	21.45	kPa	288.93	Calculated Property
Pvap	36.54	kPa	301.70	Calculated Property
Pvap	59.37	kPa	314.48	Calculated Property
Pvap	92.56	kPa	327.26	Calculated Property
Pvap	139.17	kPa	340.03	Calculated Property
Pvap	202.65	kPa	352.81	Calculated Property
Pvap	[0.01; 5087.16]	kPa	[185.45; 506.00]	KDB Vap...
Equation			ln(Pvp) = A + B/T + C*ln(T) + D*T^2
Coefficient A			8.74670e+01
Coefficient B			-6.25326e+03
Coefficient C			-1.12525e+01
Coefficient D			1.36307e-05
Temperature range, min.			185.45
Temperature range, max.			506.00
T(K) Vapor pressure (kPa) 0 1000 2000 3000 4000 5000 200 300 400 500
Pvap	0.01	kPa	185.45	Calculated Property
Pvap	0.41	kPa	221.07	Calculated Property
Pvap	4.84	kPa	256.68	Calculated Property
Pvap	28.47	kPa	292.30	Calculated Property
Pvap	107.76	kPa	327.92	Calculated Property
Pvap	306.01	kPa	363.53	Calculated Property
Pvap	718.42	kPa	399.15	Calculated Property
Pvap	1485.55	kPa	434.77	Calculated Property
Pvap	2824.33	kPa	470.38	Calculated Property
Pvap	5087.16	kPa	506.00	Calculated Property

Similar Compounds

Find more compounds similar to 2-Propenal.

Mixtures

• 2-Propenal + Water

Sources

• KDB Vapor Pressure Data
• Crippen Method
• Measurement of activity coefficient at infinite dilution for some bio-oil components in water and mass transfer study of bubbles in the dilutor.
• Joback Method
• KDB
• Estimated Solubility Method
• McGowan Method
• NIST Webbook
• The Yaws Handbook of Vapor Pressure

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