Chemical Properties of Propanal, 2-methyl- (CAS 78-84-2)

InChI

InChI=1S/C4H8O/c1-4(2)3-5/h3-4H,1-2H3

InChI Key

AMIMRNSIRUDHCM-UHFFFAOYSA-N

Formula

C4H8O

SMILES

CC(C)C=O

Molecular Weight¹

72.11

CAS

78-84-2

Other Names

• 2-Methyl-1-propanal
• 2-methylpropanal
• 2-methylpropanal (isobutanal)
• 2-methylpropionaldehyde
• Isobutaldehyde
• Isobutanal
• Isobutylaldehyde
• Isobutyral
• Isobutyraldehyd
• Isobutyric aldehyde
• Isobutyryl aldehyde
• Isopropylaldehyde
• Isopropylformaldehyde
• Methyl propanal
• NCI-C60968
• NSC 6739
• Propionaldehyde, 2-methyl-
• UN 2045
• Valine aldehyde
• iso-C3H7CHO
• isobutyraldehyde
• «alpha»-Methylpropionaldehyde

• ω : Acentric Factor.
• PAff : Proton affinity (kJ/mol).
• 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).
• 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_vapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
• Δ_vapH : Enthalpy of vaporization at a given temperature (kJ/mol).
• IE : Ionization energy (eV).
• 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).
• 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.
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ω	[0.3250; 0.3622]
ω	0.3250		PSRK revision IV (2005), critical constants and acentric factors of 1000 components Compiled value
ω	0.3622		ChemSep v8.3 pure component data Compiled value
ω	0.3500		KDB
PAff	797.30	kJ/mol	NIST
BasG	765.50	kJ/mol	NIST
ΔcH°liquid	[-2469.40; -2467.20]	kJ/mol
ΔcH°liquid	-2469.40 ± 0.70	kJ/mol	NIST
ΔcH°liquid	-2467.20 ± 0.75	kJ/mol	NIST
μ	2.70	debye	ChemSep v8.3 pure component data Compiled value
ΔfG°	[-121.40; -121.40]	kJ/mol
ΔfG°	-121.40	kJ/mol	ChemSep v8.3 pure component data Compiled value
ΔfG°	-121.40	kJ/mol	KDB
ΔfH°gas	[-218.00; -215.70]	kJ/mol
ΔfH°gas	-215.80	kJ/mol	ChemSep v8.3 pure component data Compiled value
ΔfH°gas	-215.90	kJ/mol	KDB
ΔfH°gas	-215.80 ± 1.50	kJ/mol	NIST
ΔfH°gas	-216.40	kJ/mol	NIST
ΔfH°gas	-215.70 ± 1.30	kJ/mol	NIST
ΔfH°gas	Outlier -218.00	kJ/mol	NIST
ΔfH°liquid	[-250.20; -247.20]	kJ/mol
ΔfH°liquid	-247.30 ± 0.92	kJ/mol	NIST
ΔfH°liquid	-247.90 ± 0.70	kJ/mol	NIST
ΔfH°liquid	-247.20 ± 1.30	kJ/mol	NIST
ΔfH°liquid	-250.20 ± 0.75	kJ/mol	NIST
ΔfusH°	4.88	kJ/mol	Joback Calculated Property
ΔvapH°	[31.50; 32.80]	kJ/mol
ΔvapH°	32.30	kJ/mol	NIST
ΔvapH°	31.50	kJ/mol	NIST
ΔvapH°	32.80	kJ/mol	NIST
ΔvapH°	31.50 ± 1.30	kJ/mol	NIST
ΔvapH°	31.50	kJ/mol	NIST
ΔvapH°	32.00	kJ/mol	NIST
ΔvapH°	32.20	kJ/mol	NIST
IE	[9.69; 9.82]	eV
IE	9.71 ± 0.02	eV	NIST
IE	9.72	eV	NIST
IE	9.71 ± 0.01	eV	NIST
IE	9.69 ± 0.01	eV	NIST
IE	9.74 ± 0.03	eV	NIST
IE	Outlier 9.82	eV	NIST
logPoct/wat	0.841		Crippen Calculated Property
McVol	68.790	ml/mol	McGowan Calculated Property
NFPA Fire	3		KDB
NFPA Health	2		KDB
NFPA Safety	1		KDB
Pc	[4100.00; 5100.00]	kPa
Pc	5100.00	kPa	IUPAC Vapor-Liquid Critical Properties of Elements and Compounds, part 7 Compiled value
Pc	4154.32	kPa	PSRK revision IV (2005), critical constants and acentric factors of 1000 components Compiled value
Pc	4100.00	kPa	ChemSep v8.3 pure component data Compiled value
Pc	4150.00	kPa	KDB
Ptriple	0.03	kPa	ChemSep v8.3 pure component data Compiled value
Inp	[528.00; 595.00]
Inp	542.98		NIST
Inp	540.00		NIST
Inp	540.00		NIST
Inp	540.32		NIST
Inp	540.94		NIST
Inp	541.57		NIST
Inp	543.00		NIST
Inp	540.00		NIST
Inp	541.00		NIST
Inp	542.00		NIST
Inp	567.00		NIST
Inp	528.00		NIST
Inp	536.00		NIST
Inp	540.00		NIST
Inp	550.00		NIST
Inp	554.00		NIST
Inp	553.00		NIST
Inp	550.00		NIST
Inp	551.00		NIST
Inp	553.00		NIST
Inp	551.00		NIST
Inp	552.00		NIST
Inp	546.00		NIST
Inp	531.00		NIST
Inp	537.00		NIST
Inp	556.00		NIST
Inp	544.00		NIST
Inp	552.00		NIST
Inp	557.00		NIST
Inp	551.00		NIST
Inp	532.00		NIST
Inp	558.00		NIST
Inp	558.00		NIST
Inp	550.00		NIST
Inp	554.00		NIST
Inp	550.00		NIST
Inp	533.00		NIST
Inp	552.00		NIST
Inp	540.00		NIST
Inp	535.00		NIST
Inp	554.00		NIST
Inp	558.00		NIST
Inp	548.00		NIST
Inp	551.00		NIST
Inp	540.00		NIST
Inp	553.00		NIST
Inp	555.00		NIST
Inp	555.00		NIST
Inp	555.00		NIST
Inp	Outlier 595.00		NIST
Inp	534.00		NIST
Inp	534.00		NIST
Inp	556.00		NIST
Inp	554.00		NIST
Inp	550.00		NIST
Inp	560.00		NIST
Inp	Outlier 582.00		NIST
Inp	552.00		NIST
Inp	553.00		NIST
Inp	532.00		NIST
Inp	Outlier 591.00		NIST
Inp	535.00		NIST
Inp	550.00		NIST
Inp	Outlier 582.00		NIST
Inp	550.00		NIST
Inp	550.00		NIST
Inp	540.00		NIST
Inp	531.00		NIST
Inp	531.00		NIST
Inp	532.00		NIST
Inp	534.00		NIST
Inp	532.00		NIST
Inp	550.00		NIST
Inp	547.00		NIST
Inp	552.00		NIST
Inp	558.00		NIST
Inp	550.00		NIST
Inp	542.00		NIST
Inp	561.00		NIST
Inp	550.00		NIST
Inp	550.00		NIST
Inp	540.00		NIST
Inp	540.00		NIST
Inp	566.00		NIST
Inp	543.00		NIST
Inp	538.00		NIST
Inp	558.00		NIST
Inp	547.00		NIST
Inp	536.00		NIST
Inp	530.00		NIST
Inp	531.00		NIST
Inp	536.00		NIST
Inp	556.00		NIST
Inp	537.00		NIST
Inp	539.00		NIST
Inp	541.00		NIST
Inp	538.00		NIST
Inp	554.00		NIST
Inp	532.00		NIST
Inp	550.00		NIST
Inp	540.00		NIST
Inp	558.00		NIST
Inp	536.00		NIST
Inp	538.00		NIST
Ip	[770.00; 855.00]
Ip	842.70		NIST
Ip	830.40		NIST
Ip	836.80		NIST
Ip	838.60		NIST
Ip	842.00		NIST
Ip	801.00		NIST
Ip	812.00		NIST
Ip	800.00		NIST
Ip	800.00		NIST
Ip	800.00		NIST
Ip	842.00		NIST
Ip	833.00		NIST
Ip	813.00		NIST
Ip	828.00		NIST
Ip	Outlier 770.00		NIST
Ip	813.00		NIST
Ip	812.00		NIST
Ip	839.00		NIST
Ip	Outlier 770.00		NIST
Ip	Outlier 855.00		NIST
Ip	823.00		NIST
Ip	830.00		NIST
Ip	789.00		NIST
Ip	810.00		NIST
Ip	800.00		NIST
Ip	807.00		NIST
Ip	814.00		NIST
Ip	812.00		NIST
Ip	812.00		NIST
Ip	830.00		NIST
Ip	820.00		NIST
Ip	820.00		NIST
Ip	802.00		NIST
Ip	834.00		NIST
Ip	821.00		NIST
Ip	821.00		NIST
Ip	819.00		NIST
Ip	821.00		NIST
Ip	Outlier 850.00		NIST
Ip	833.00		NIST
Ip	814.00		NIST
Ip	819.00		NIST
Ip	821.00		NIST
Ip	831.00		NIST
Ip	834.00		NIST
Ip	827.00		NIST
Ip	814.00		NIST
Ip	822.00		NIST
Ip	807.00		NIST
Ip	817.00		NIST
Ip	813.00		NIST
Ip	814.00		NIST
Ip	820.00		NIST
Ip	818.00		NIST
Ip	800.00		NIST
Ip	819.00		NIST
Ip	819.00		NIST
Ip	808.00		NIST
Ip	830.00		NIST
Ip	812.00		NIST
Ip	814.00		NIST
Ip	821.00		NIST
Ip	834.00		NIST
Ip	830.00		NIST
Ip	825.00		NIST
Ip	800.00		NIST
Ip	800.00		NIST
Ip	824.00		NIST
Ip	817.00		NIST
Ip	814.00		NIST
Ip	820.00		NIST
Ip	819.00		NIST
Ip	800.00		NIST
Ip	801.00		NIST
Ip	842.70		NIST
Ip	842.00		NIST
Ip	813.00		NIST
Ip	823.00		NIST
Ip	807.00		NIST
Tboil	[64.33; 381.15]	K
Tboil	337.25	K	ChemSep v8.3 pure component data Compiled value
Tboil	337.00	K	KDB
Tboil	336.20	K	NIST
Tboil	337.70	K	NIST
Tboil	342.02 ± 0.30	K	NIST
Tboil	381.15 ± 0.40	K	NIST
Tboil	337.25	K	NIST
Tboil	337.15 ± 2.00	K	NIST
Tboil	Outlier 64.33 ± 0.10	K	NIST
Tboil	337.20 ± 2.00	K	NIST
Tboil	335.15 ± 0.50	K	NIST
Tboil	337.25 ± 1.00	K	NIST
Tboil	337.15 ± 1.00	K	NIST
Tboil	336.65 ± 1.00	K	NIST
Tboil	337.65 ± 2.00	K	NIST
Tboil	336.70 ± 0.60	K	NIST
Tboil	337.00 ± 3.00	K	NIST
Tboil	336.20 ± 2.00	K	NIST
Tboil	337.25 ± 1.00	K	NIST
Tboil	336.85 ± 1.00	K	NIST
Tboil	336.45 ± 1.00	K	NIST
Tboil	335.65 ± 2.00	K	NIST
Tboil	337.15 ± 2.00	K	NIST
Tboil	335.15 ± 3.00	K	NIST
Tboil	336.65 ± 2.00	K	NIST
Tboil	334.15 ± 2.00	K	NIST
Tboil	334.15 ± 2.00	K	NIST
Tboil	336.65 ± 2.00	K	NIST
Tboil	335.15 ± 2.00	K	NIST
Tboil	334.15 ± 3.00	K	NIST
Tc	[507.00; 544.00]	K
Tc	519.00	K	DIPPR Project 851 - Thirty Years of Vapor-Liquid Critical Point Measurements and Experimental Technique Development
Tc	544.00	K	IUPAC Vapor-Liquid Critical Properties of Elements and Compounds, part 7 Compiled value
Tc	513.00	K	PSRK revision IV (2005), critical constants and acentric factors of 1000 components Compiled value
Tc	507.00	K	ChemSep v8.3 pure component data Compiled value
Tc	513.00	K	KDB
Tfus	[145.00; 208.20]	K
Tfus	208.15	K	Jean-Claude Bradley Open Melting Point Dataset (2014, CC0) Compiled value
Tfus	208.15	K	ChemSep v8.3 pure component data Compiled value
Tfus	208.20	K	KDB
Tfus	201.00 ± 0.50	K	NIST
Tfus	207.30 ± 2.00	K	NIST
Tfus	207.30 ± 2.00	K	NIST
Tfus	Outlier 145.00 ± 3.00	K	NIST
Tfus	207.30 ± 0.40	K	NIST
Tfus	201.00 ± 0.50	K	NIST
Ttriple	208.15	K	ChemSep v8.3 pure component data Compiled value
UQi	2.87		ChemSep v8.3 pure component data Compiled value
URi	3.25		ChemSep v8.3 pure component data Compiled value
Vc	[0.263; 0.274]	m3/kmol
Vc	0.274	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	0.274	m3/kmol	KDB
Zc	[0.2560000; 0.2665900]
Zc	0.2560000		ChemSep v8.3 pure component data Compiled value
Zc	0.2665900		KDB

Cheméo can also estimate Log10 of Water solubility in mol/l for this compound, but it falls outside the models' validated range, so it is not shown here. Open the prediction tool to compute it on demand.

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
ΔvapH	[31.40; 33.40]	kJ/mol	[318.50; 340.00]
ΔvapH	31.40	kJ/mol	318.50	NIST
ΔvapH	31.80	kJ/mol	323.00	NIST
ΔvapH	33.40	kJ/mol	340.00	NIST
ρl	789.00	kg/m3	293.00	KDB

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[79.43; 240.44]	J/mol×K	[208.15; 1200.10]	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			6.85000e+01
Coefficient B			-7.41450e+02
Coefficient C			6.06924e+00
Coefficient D			-6.16490e-04
Coefficient E			3.02430e-07
Temperature range, min.			208.15
Temperature range, max.			1200.10
Cp,gas	79.43	J/mol×K	208.15	Calculated Property
Cp,gas	104.18	J/mol×K	318.37	Calculated Property
Cp,gas	130.71	J/mol×K	428.58	Calculated Property
Cp,gas	154.02	J/mol×K	538.80	Calculated Property
Cp,gas	173.51	J/mol×K	649.02	Calculated Property
Cp,gas	189.88	J/mol×K	759.23	Calculated Property
Cp,gas	204.01	J/mol×K	869.45	Calculated Property
Cp,gas	216.72	J/mol×K	979.67	Calculated Property
Cp,gas	228.68	J/mol×K	1089.88	Calculated Property
Cp,gas	240.44	J/mol×K	1200.10	Calculated Property

Property	Value	Unit	Temperature (K)	Source
Cp,liquid	[152.49; 177.33]	J/mol×K	[214.60; 380.25]	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			1.43330e+02
Coefficient B			1.10870e+02
Coefficient C			-1.60786e+00
Coefficient D			1.88690e-02
Coefficient E			-1.61310e-05
Temperature range, min.			214.60
Temperature range, max.			380.25
Cp,liquid	152.49	J/mol×K	214.60	Calculated Property
Cp,liquid	154.23	J/mol×K	233.01	Calculated Property
Cp,liquid	156.23	J/mol×K	251.41	Calculated Property
Cp,liquid	158.51	J/mol×K	269.82	Calculated Property
Cp,liquid	161.06	J/mol×K	288.22	Calculated Property
Cp,liquid	163.88	J/mol×K	306.63	Calculated Property
Cp,liquid	166.95	J/mol×K	325.03	Calculated Property
Cp,liquid	170.24	J/mol×K	343.44	Calculated Property
Cp,liquid	173.72	J/mol×K	361.84	Calculated Property
Cp,liquid	177.33	J/mol×K	380.25	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0021651; 0.0002150]	Pa×s	[208.15; 407.00]	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			-1.05350e+01
Coefficient B			9.70520e+02
Coefficient C			-4.93390e-02
Coefficient D			1.16730e-08
Coefficient E			2.00000e+00
Temperature range, min.			208.15
Temperature range, max.			407.00
η	0.0021651	Pa×s	208.15	Calculated Property
η	0.0013774	Pa×s	230.24	Calculated Property
η	0.0009481	Pa×s	252.34	Calculated Property
η	0.0006929	Pa×s	274.43	Calculated Property
η	0.0005304	Pa×s	296.53	Calculated Property
η	0.0004213	Pa×s	318.62	Calculated Property
η	0.0003447	Pa×s	340.72	Calculated Property
η	0.0002889	Pa×s	362.81	Calculated Property
η	0.0002471	Pa×s	384.91	Calculated Property
η	0.0002150	Pa×s	407.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
ΔvapH	[38.78; 0.00]	kJ/mol	[208.15; 507.00]	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			4.95108e+01
Coefficient B			2.63532e-01
Coefficient C			1.20966e+00
Coefficient D			-2.27157e+00
Coefficient E			1.22330e+00
Critical temperature, Tc (K)			5.07000e+02
Temperature range, min.			208.15
Temperature range, max.			507.00
ΔvapH	38.78	kJ/mol	208.15	Calculated Property
ΔvapH	36.86	kJ/mol	241.36	Calculated Property
ΔvapH	34.95	kJ/mol	274.56	Calculated Property
ΔvapH	33.00	kJ/mol	307.77	Calculated Property
ΔvapH	30.92	kJ/mol	340.97	Calculated Property
ΔvapH	28.56	kJ/mol	374.18	Calculated Property
ΔvapH	25.68	kJ/mol	407.38	Calculated Property
ΔvapH	21.86	kJ/mol	440.59	Calculated Property
ΔvapH	16.26	kJ/mol	473.79	Calculated Property
ΔvapH	0.00	kJ/mol	507.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
Pvap	[1.33; 202.68]	kPa	[248.99; 357.24]	The Yaws Handbook of Vapor Pressure
Equation			ln(Y) = A + B/(T + C) Y is Pvap in kPa, T in K
Coefficient A			1.48847e+01
Coefficient B			-3.01099e+03
Coefficient C			-4.27150e+01
Temperature range, min.			248.99
Temperature range, max.			357.24
Pvap	1.33	kPa	248.99	Calculated Property
Pvap	2.98	kPa	261.02	Calculated Property
Pvap	6.12	kPa	273.05	Calculated Property
Pvap	11.72	kPa	285.07	Calculated Property
Pvap	21.08	kPa	297.10	Calculated Property
Pvap	35.98	kPa	309.13	Calculated Property
Pvap	58.62	kPa	321.16	Calculated Property
Pvap	91.73	kPa	333.18	Calculated Property
Pvap	138.51	kPa	345.21	Calculated Property
Pvap	202.68	kPa	357.24	Calculated Property
Pvap	[0.03; 4118.40]	kPa	[208.15; 507.00]	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			9.52653e+01
Coefficient B			-7.11602e+03
Coefficient C			-1.21659e+01
Coefficient D			1.11612e-05
Coefficient E			2.00000e+00
Temperature range, min.			208.15
Temperature range, max.			507.00
Pvap	0.03	kPa	208.15	Calculated Property
Pvap	0.73	kPa	241.36	Calculated Property
Pvap	6.52	kPa	274.56	Calculated Property
Pvap	33.06	kPa	307.77	Calculated Property
Pvap	114.89	kPa	340.97	Calculated Property
Pvap	308.11	kPa	374.18	Calculated Property
Pvap	689.43	kPa	407.38	Calculated Property
Pvap	1357.37	kPa	440.59	Calculated Property
Pvap	2440.94	kPa	473.79	Calculated Property
Pvap	4118.40	kPa	507.00	Calculated Property
Pvap	[0.04; 4084.94]	kPa	[208.15; 508.46]	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			1.23749e+02
Coefficient B			-7.99301e+03
Coefficient C			-1.67410e+01
Coefficient D			1.78146e-05
Coefficient E			0.00000e+00
Temperature range, min.			208.15
Temperature range, max.			508.46
Pvap	0.04	kPa	208.15	Calculated Property
Pvap	0.85	kPa	241.52	Calculated Property
Pvap	7.35	kPa	274.89	Calculated Property
Pvap	35.53	kPa	308.25	Calculated Property
Pvap	117.78	kPa	341.62	Calculated Property
Pvap	303.88	kPa	374.99	Calculated Property
Pvap	663.10	kPa	408.36	Calculated Property
Pvap	1294.54	kPa	441.72	Calculated Property
Pvap	2351.15	kPa	475.09	Calculated Property
Pvap	4084.94	kPa	508.46	Calculated Property
Pvap	[13.11; 97.24]	kPa	[286.08; 336.00]	NIST
Equation			ln(Y) = A + B/(T + C) Y is Pvap in kPa, T in K
Coefficient A			1.35253e+01
Coefficient B			-2.44106e+03
Coefficient C			-6.31960e+01
Reference			Seprakova, Paulech, et al., 1959
Comment			Coefficents calculated by NIST from author's data.
Temperature range, min.			286.08
Temperature range, max.			336.00
Pvap	13.11	kPa	286.08	Calculated Property
Pvap	17.10	kPa	291.63	Calculated Property
Pvap	22.03	kPa	297.17	Calculated Property
Pvap	28.05	kPa	302.72	Calculated Property
Pvap	35.33	kPa	308.27	Calculated Property
Pvap	44.04	kPa	313.81	Calculated Property
Pvap	54.38	kPa	319.36	Calculated Property
Pvap	66.55	kPa	324.91	Calculated Property
Pvap	80.76	kPa	330.45	Calculated Property
Pvap	97.24	kPa	336.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
ρl	[877.85; 272.92]	kg/m3	[208.15; 507.00]	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			7.01343e+01
Coefficient B			2.56980e-01
Coefficient C			5.07000e+02
Coefficient D			2.85710e-01
Temperature range, min.			208.15
Temperature range, max.			507.00
ρl	877.85	kg/m3	208.15	Calculated Property
ρl	844.56	kg/m3	241.36	Calculated Property
ρl	809.59	kg/m3	274.56	Calculated Property
ρl	772.53	kg/m3	307.77	Calculated Property
ρl	732.79	kg/m3	340.97	Calculated Property
ρl	689.43	kg/m3	374.18	Calculated Property
ρl	640.81	kg/m3	407.38	Calculated Property
ρl	583.69	kg/m3	440.59	Calculated Property
ρl	509.17	kg/m3	473.79	Calculated Property
ρl	272.92	kg/m3	507.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
γ	[0.03; 1.72e-05]	N/m	[208.15; 504.31]	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			-8.03350e-03
Coefficient B			1.38780e+02
Coefficient C			-4.33510e+00
Coefficient D			4.69590e-03
Coefficient E			-1.23080e-05
Comment			Range stopped where the equation turns negative; ChemSep gives it to 507 K.
Temperature range, min.			208.15
Temperature range, max.			504.31
γ	0.03	N/m	208.15	Calculated Property
γ	0.03	N/m	241.06	Calculated Property
γ	0.02	N/m	273.96	Calculated Property
γ	0.02	N/m	306.87	Calculated Property
γ	0.02	N/m	339.78	Calculated Property
γ	0.01	N/m	372.68	Calculated Property
γ	0.01	N/m	405.59	Calculated Property
γ	0.01	N/m	438.50	Calculated Property
γ	0.00	N/m	471.40	Calculated Property
γ	1.72e-05	N/m	504.31	Calculated Property

Property	Value	Unit	Temperature (K)	Source
λgas	[0.01; 0.12]	W/m×K	[208.15; 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			-2.15140e+03
Coefficient B			-2.10390e-01
Coefficient C			9.74960e+05
Coefficient D			-5.09430e+09
Temperature range, min.			208.15
Temperature range, max.			1000.00
λgas	0.01	W/m×K	208.15	Calculated Property
λgas	0.01	W/m×K	296.13	Calculated Property
λgas	0.02	W/m×K	384.12	Calculated Property
λgas	0.03	W/m×K	472.10	Calculated Property
λgas	0.04	W/m×K	560.08	Calculated Property
λgas	0.05	W/m×K	648.07	Calculated Property
λgas	0.07	W/m×K	736.05	Calculated Property
λgas	0.08	W/m×K	824.03	Calculated Property
λgas	0.10	W/m×K	912.02	Calculated Property
λgas	0.12	W/m×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
λliquid	[0.16; 0.12]	W/m×K	[208.15; 337.25]	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			1.00240e-01
Coefficient B			-2.23610e+02
Coefficient C			-2.57710e-01
Coefficient D			-4.74000e-03
Coefficient E			-1.18840e-05
Temperature range, min.			208.15
Temperature range, max.			337.25
λliquid	0.16	W/m×K	208.15	Calculated Property
λliquid	0.15	W/m×K	222.49	Calculated Property
λliquid	0.15	W/m×K	236.84	Calculated Property
λliquid	0.15	W/m×K	251.18	Calculated Property
λliquid	0.14	W/m×K	265.53	Calculated Property
λliquid	0.14	W/m×K	279.87	Calculated Property
λliquid	0.13	W/m×K	294.22	Calculated Property
λliquid	0.13	W/m×K	308.56	Calculated Property
λliquid	0.12	W/m×K	322.91	Calculated Property
λliquid	0.12	W/m×K	337.25	Calculated Property

Similar Compounds

Find more compounds similar to Propanal, 2-methyl-.

Mixtures

• Carbon monoxide + Propanal, 2-methyl-
• Water + Propanal, 2-methyl-

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.
• 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
• Crippen Method
• Thermodynamics of solvation of some linear and branched aliphatic aldehydes in water and heptane
• Solubility Measurement and Correlation of Carbon Monoxide (CO) in Butyraldehydes: n-Butyraldehyde and iso-Butyraldehyde
• DIPPR Project 851 - Thirty Years of Vapor-Liquid Critical Point Measurements and Experimental Technique Development
• Measurement of Henry s Law Constants for Acetone, 2-Butanone, 2,3-Butanedione, and Isobutyraldehyde Using a Horizontal Flow Reactor
• Joback Method
• KDB
• McGowan Method
• NIST Webbook
• The Yaws Handbook of Vapor Pressure

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