Chemical Properties of 1,2-Butadiene (CAS 590-19-2)

InChI

InChI=1S/C4H6/c1-3-4-2/h4H,1H2,2H3

InChI Key

QNRMTGGDHLBXQZ-UHFFFAOYSA-N

Formula

C4H6

SMILES

C=C=CC

Molecular Weight¹

54.09

CAS

590-19-2

Other Names

• Allene, methyl-
• Buta-1,2-diene
• CH2=C=CHCH3
• Methylallene

• ω : Acentric Factor.
• PAff : Proton affinity (kJ/mol).
• BasG : Gas basicity (kJ/mol).
• Δ_cH°_gas : Standard gas 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_c,grossH : Heat of Combustion, Gross form (kJ/mol).
• Δ_c,netH : Heat of Combustion, Net Form (kJ/mol).
• Δ_fH°_gas : 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).
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• 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.
• 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).
• Δ_vapS : Entropy of vaporization at a given temperature (J/mol×K).
• 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).
• V_COSTALD : COSTALD Characteristic Volume (m³/kmol).
• ω_SRK : SRK acentric factor.
• Z_c : Critical Compressibility.
• Z_ra : Rackett Parameter.
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ω	[0.1659; 0.3394]
ω	0.2550		PSRK revision IV (2005), critical constants and acentric factors of 1000 components Compiled value
ω	0.3394		Passut and Danner (1973), critical constants and acentric factors Compiled value
ω	0.1659		ChemSep v8.3 pure component data Compiled value
ω	0.2550		KDB
PAff	778.90	kJ/mol	NIST
BasG	749.80	kJ/mol	NIST
ΔcH°gas	[-2597.00; -2593.80]	kJ/mol
ΔcH°gas	-2593.80 ± 0.54	kJ/mol	NIST
ΔcH°gas	-2597.00 ± 1.20	kJ/mol	NIST
μ	[0.40; 0.40]	debye
μ	0.40	debye	ChemSep v8.3 pure component data Compiled value
μ	0.40	debye	KDB
ΔfG°	[198.60; 198.60]	kJ/mol
ΔfG°	198.60	kJ/mol	ChemSep v8.3 pure component data Compiled value
ΔfG°	198.60	kJ/mol	KDB
Δc,grossH	2569.52	kJ/mol	KDB
Δc,netH	2437.515	kJ/mol	KDB
ΔfH°gas	[162.20; 165.40]	kJ/mol
ΔfH°gas	162.30	kJ/mol	ChemSep v8.3 pure component data Compiled value
ΔfH°gas	162.30	kJ/mol	KDB
ΔfH°gas	162.20 ± 0.59	kJ/mol	NIST
ΔfH°gas	165.40 ± 1.20	kJ/mol	NIST
ΔfusH°	6.97	kJ/mol	Joback Calculated Property
ΔvapH°	[23.68; 23.90]	kJ/mol
ΔvapH°	23.68	kJ/mol	NIST
ΔvapH°	23.90	kJ/mol	NIST
IE	[9.00; 9.33]	eV
IE	9.03	eV	NIST
IE	9.23 ± 0.02	eV	NIST
IE	9.33 ± 0.02	eV	NIST
IE	9.00	eV	NIST
IE	9.33	eV	NIST
logPoct/wat	1.347		Crippen Calculated Property
McVol	58.620	ml/mol	McGowan Calculated Property
Pc	[4360.00; 4502.28]	kPa
Pc	4498.83	kPa	PSRK revision IV (2005), critical constants and acentric factors of 1000 components Compiled value
Pc	4502.28	kPa	Passut and Danner (1973), critical constants and acentric factors Compiled value
Pc	4360.00	kPa	ChemSep v8.3 pure component data Compiled value
Pc	4490.00	kPa	KDB
Ptriple	4.47e-04	kPa	ChemSep v8.3 pure component data Compiled value
Inp	[427.00; 450.00]
Inp	428.50		NIST
Inp	427.90		NIST
Inp	429.00		NIST
Inp	430.00		NIST
Inp	430.00		NIST
Inp	430.00		NIST
Inp	448.00		NIST
Inp	427.00		NIST
Inp	450.00		NIST
Inp	441.00		NIST
Inp	427.00		NIST
Inp	450.00		NIST
Inp	428.50		NIST
Inp	430.00		NIST
Ip	[540.00; 562.00]
Ip	562.00		NIST
Ip	540.00		NIST
Ip	562.00		NIST
S°liquid	206.19	J/mol×K	NIST
Tboil	[283.50; 291.70]	K
Tboil	284.00	K	ChemSep v8.3 pure component data Compiled value
Tboil	284.00	K	KDB
Tboil	284.00	K	NIST
Tboil	Outlier 291.70 ± 2.00	K	NIST
Tboil	284.06 ± 0.30	K	NIST
Tboil	283.50 ± 0.50	K	NIST
Tc	[443.70; 452.00]	K
Tc	443.70	K	PSRK revision IV (2005), critical constants and acentric factors of 1000 components Compiled value
Tc	443.71	K	Passut and Danner (1973), critical constants and acentric factors Compiled value
Tc	452.00	K	ChemSep v8.3 pure component data Compiled value
Tc	443.70	K	KDB
Tfus	[136.94; 137.00]	K
Tfus	136.95	K	Jean-Claude Bradley Open Melting Point Dataset (2014, CC0) Compiled value
Tfus	136.95	K	ChemSep v8.3 pure component data Compiled value
Tfus	137.00	K	KDB
Tfus	136.94 ± 0.05	K	NIST
Tfus	136.96 ± 0.02	K	NIST
Ttriple	[136.92; 136.96]	K
Ttriple	136.96	K	Staveley, Lobo and Calado (1981), triple points Compiled value
Ttriple	136.95	K	ChemSep v8.3 pure component data Compiled value
Ttriple	136.92 ± 0.06	K	NIST
Ttriple	136.95 ± 0.05	K	NIST
Ttriple	136.94 ± 0.08	K	NIST
Ttriple	136.92 ± 0.06	K	NIST
Ttriple	136.95 ± 0.05	K	NIST
UQi	2.02		ChemSep v8.3 pure component data Compiled value
URi	2.47		ChemSep v8.3 pure component data Compiled value
Vc	[0.219; 0.220]	m3/kmol
Vc	0.219	m3/kmol	PSRK revision IV (2005), critical constants and acentric factors of 1000 components Compiled value
Vc	0.220	m3/kmol	ChemSep v8.3 pure component data Compiled value
Vc	0.219	m3/kmol	KDB
VCOSTALD	0.22	m3/kmol	Hankinson and Thomson (1979), COSTALD parameters Compiled value
ωSRK	0.25		Hankinson and Thomson (1979), COSTALD parameters Compiled value
Zc	[0.2550000; 0.2665410]
Zc	0.2550000		ChemSep v8.3 pure component data Compiled value
Zc	0.2665410		KDB
Zra	[0.27; 0.27]
Zra	0.27		Hankinson and Thomson (1979), COSTALD parameters Compiled value
Zra	0.27		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
Cp,liquid	[109.60; 124.60]	J/mol×K	[140.00; 298.15]
Cp,liquid	110.20	J/mol×K	140.00	Zabransky, M., Ruzicka, V., Majer, V. and Domalski, E. (1997), Heat Capacity of Liquids: Critical Review and Recommended Values - Monograph No. 6, J. Phys. & Chem. Ref. Data (JPCRD), National Institute of Standards and Technology, Gaithersburg, MD
Cp,liquid	109.80	J/mol×K	150.00	Zabransky, M., Ruzicka, V., Majer, V. and Domalski, E. (1997), Heat Capacity of Liquids: Critical Review and Recommended Values - Monograph No. 6, J. Phys. & Chem. Ref. Data (JPCRD), National Institute of Standards and Technology, Gaithersburg, MD
Cp,liquid	109.60	J/mol×K	160.00	Zabransky, M., Ruzicka, V., Majer, V. and Domalski, E. (1997), Heat Capacity of Liquids: Critical Review and Recommended Values - Monograph No. 6, J. Phys. & Chem. Ref. Data (JPCRD), National Institute of Standards and Technology, Gaithersburg, MD
Cp,liquid	109.60	J/mol×K	170.00	Zabransky, M., Ruzicka, V., Majer, V. and Domalski, E. (1997), Heat Capacity of Liquids: Critical Review and Recommended Values - Monograph No. 6, J. Phys. & Chem. Ref. Data (JPCRD), National Institute of Standards and Technology, Gaithersburg, MD
Cp,liquid	109.70	J/mol×K	180.00	Zabransky, M., Ruzicka, V., Majer, V. and Domalski, E. (1997), Heat Capacity of Liquids: Critical Review and Recommended Values - Monograph No. 6, J. Phys. & Chem. Ref. Data (JPCRD), National Institute of Standards and Technology, Gaithersburg, MD
Cp,liquid	110.00	J/mol×K	190.00	Zabransky, M., Ruzicka, V., Majer, V. and Domalski, E. (1997), Heat Capacity of Liquids: Critical Review and Recommended Values - Monograph No. 6, J. Phys. & Chem. Ref. Data (JPCRD), National Institute of Standards and Technology, Gaithersburg, MD
Cp,liquid	110.50	J/mol×K	200.00	Zabransky, M., Ruzicka, V., Majer, V. and Domalski, E. (1997), Heat Capacity of Liquids: Critical Review and Recommended Values - Monograph No. 6, J. Phys. & Chem. Ref. Data (JPCRD), National Institute of Standards and Technology, Gaithersburg, MD
Cp,liquid	111.20	J/mol×K	210.00	Zabransky, M., Ruzicka, V., Majer, V. and Domalski, E. (1997), Heat Capacity of Liquids: Critical Review and Recommended Values - Monograph No. 6, J. Phys. & Chem. Ref. Data (JPCRD), National Institute of Standards and Technology, Gaithersburg, MD
Cp,liquid	112.00	J/mol×K	220.00	Zabransky, M., Ruzicka, V., Majer, V. and Domalski, E. (1997), Heat Capacity of Liquids: Critical Review and Recommended Values - Monograph No. 6, J. Phys. & Chem. Ref. Data (JPCRD), National Institute of Standards and Technology, Gaithersburg, MD
Cp,liquid	113.00	J/mol×K	230.00	Zabransky, M., Ruzicka, V., Majer, V. and Domalski, E. (1997), Heat Capacity of Liquids: Critical Review and Recommended Values - Monograph No. 6, J. Phys. & Chem. Ref. Data (JPCRD), National Institute of Standards and Technology, Gaithersburg, MD
Cp,liquid	114.20	J/mol×K	240.00	Zabransky, M., Ruzicka, V., Majer, V. and Domalski, E. (1997), Heat Capacity of Liquids: Critical Review and Recommended Values - Monograph No. 6, J. Phys. & Chem. Ref. Data (JPCRD), National Institute of Standards and Technology, Gaithersburg, MD
Cp,liquid	115.60	J/mol×K	250.00	Zabransky, M., Ruzicka, V., Majer, V. and Domalski, E. (1997), Heat Capacity of Liquids: Critical Review and Recommended Values - Monograph No. 6, J. Phys. & Chem. Ref. Data (JPCRD), National Institute of Standards and Technology, Gaithersburg, MD
Cp,liquid	117.10	J/mol×K	260.00	Zabransky, M., Ruzicka, V., Majer, V. and Domalski, E. (1997), Heat Capacity of Liquids: Critical Review and Recommended Values - Monograph No. 6, J. Phys. & Chem. Ref. Data (JPCRD), National Institute of Standards and Technology, Gaithersburg, MD
Cp,liquid	118.90	J/mol×K	270.00	Zabransky, M., Ruzicka, V., Majer, V. and Domalski, E. (1997), Heat Capacity of Liquids: Critical Review and Recommended Values - Monograph No. 6, J. Phys. & Chem. Ref. Data (JPCRD), National Institute of Standards and Technology, Gaithersburg, MD
Cp,liquid	119.40	J/mol×K	273.15	Zabransky, M., Ruzicka, V., Majer, V. and Domalski, E. (1997), Heat Capacity of Liquids: Critical Review and Recommended Values - Monograph No. 6, J. Phys. & Chem. Ref. Data (JPCRD), National Institute of Standards and Technology, Gaithersburg, MD
Cp,liquid	120.80	J/mol×K	280.00	Zabransky, M., Ruzicka, V., Majer, V. and Domalski, E. (1997), Heat Capacity of Liquids: Critical Review and Recommended Values - Monograph No. 6, J. Phys. & Chem. Ref. Data (JPCRD), National Institute of Standards and Technology, Gaithersburg, MD
Cp,liquid	122.80	J/mol×K	290.00	Zabransky, M., Ruzicka, V., Majer, V. and Domalski, E. (1997), Heat Capacity of Liquids: Critical Review and Recommended Values - Monograph No. 6, J. Phys. & Chem. Ref. Data (JPCRD), National Institute of Standards and Technology, Gaithersburg, MD
Cp,liquid	122.80	J/mol×K	290.00	NIST
Cp,liquid	124.60	J/mol×K	298.15	Zabransky, M., Ruzicka, V., Majer, V. and Domalski, E. (1997), Heat Capacity of Liquids: Critical Review and Recommended Values - Monograph No. 6, J. Phys. & Chem. Ref. Data (JPCRD), National Institute of Standards and Technology, Gaithersburg, MD
ΔfusH	[6.95; 6.96]	kJ/mol	[136.90; 136.92]
ΔfusH	6.95	kJ/mol	136.90	NIST
ΔfusH	6.96	kJ/mol	136.90	NIST
ΔfusH	6.96	kJ/mol	136.92	NIST
ΔfusH	6.96	kJ/mol	136.92	NIST
ΔvapH	[24.02; 26.40]	kJ/mol	[223.50; 284.00]
ΔvapH	26.40	kJ/mol	223.50	NIST
ΔvapH	25.20	kJ/mol	237.50	NIST
ΔvapH	25.30	kJ/mol	267.00	NIST
ΔvapH	24.60 ± 0.10	kJ/mol	273.00	NIST
ΔvapH	24.60 ± 0.10	kJ/mol	273.00	NIST
ΔvapH	24.62	kJ/mol	273.24	NIST
ΔvapH	24.62	kJ/mol	273.24	NIST
ΔvapH	24.60 ± 0.30	kJ/mol	273.25	NIST
ΔvapH	24.27	kJ/mol	284.00	KDB
ΔvapH	24.02	kJ/mol	284.00	NIST
ρl	652.00	kg/m3	293.00	KDB
ΔfusS	[50.84; 50.84]	J/mol×K	[136.92; 136.92]
ΔfusS	50.84	J/mol×K	136.92	NIST
ΔfusS	50.84	J/mol×K	136.92	NIST
γ	0.02	N/m	298.20	KDB
ΔvapS	[90.11; 90.11]	J/mol×K	[273.24; 273.24]
ΔvapS	90.11	J/mol×K	273.24	NIST
ΔvapS	90.11	J/mol×K	273.24	NIST

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[40.91; 191.88]	J/mol×K	[80.00; 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			3.95040e+01
Coefficient B			-3.54147e+02
Coefficient C			4.71323e+00
Coefficient D			7.43210e-04
Coefficient E			-2.51378e-07
Temperature range, min.			80.00
Temperature range, max.			1500.00
Cp,gas	40.91	J/mol×K	80.00	Calculated Property
Cp,gas	69.06	J/mol×K	237.78	Calculated Property
Cp,gas	98.21	J/mol×K	395.56	Calculated Property
Cp,gas	121.57	J/mol×K	553.33	Calculated Property
Cp,gas	140.65	J/mol×K	711.11	Calculated Property
Cp,gas	156.44	J/mol×K	868.89	Calculated Property
Cp,gas	169.35	J/mol×K	1026.67	Calculated Property
Cp,gas	179.54	J/mol×K	1184.44	Calculated Property
Cp,gas	187.04	J/mol×K	1342.22	Calculated Property
Cp,gas	191.88	J/mol×K	1500.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
Cp,liquid	[109.75; 120.68]	J/mol×K	[136.95; 290.00]	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			1.09750e+02
Coefficient B			-2.42510e+03
Coefficient C			5.74724e+00
Coefficient D			5.90680e-02
Coefficient E			-1.44150e-04
Temperature range, min.			136.95
Temperature range, max.			290.00
Cp,liquid	109.75	J/mol×K	136.95	Calculated Property
Cp,liquid	109.76	J/mol×K	153.96	Calculated Property
Cp,liquid	109.83	J/mol×K	170.96	Calculated Property
Cp,liquid	110.07	J/mol×K	187.97	Calculated Property
Cp,liquid	110.72	J/mol×K	204.97	Calculated Property
Cp,liquid	112.05	J/mol×K	221.98	Calculated Property
Cp,liquid	114.16	J/mol×K	238.98	Calculated Property
Cp,liquid	116.77	J/mol×K	255.99	Calculated Property
Cp,liquid	119.20	J/mol×K	272.99	Calculated Property
Cp,liquid	120.68	J/mol×K	290.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0010813; 0.0001041]	Pa×s	[136.95; 420.00]	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			-9.91340e+00
Coefficient B			4.68650e+02
Coefficient C			-6.98140e-02
Coefficient D			2.80310e-07
Coefficient E			2.00000e+00
Temperature range, min.			136.95
Temperature range, max.			420.00
η	0.0010813	Pa×s	136.95	Calculated Property
η	0.0005640	Pa×s	168.40	Calculated Property
η	0.0003609	Pa×s	199.85	Calculated Property
η	0.0002607	Pa×s	231.30	Calculated Property
η	0.0002036	Pa×s	262.75	Calculated Property
η	0.0001678	Pa×s	294.20	Calculated Property
η	0.0001436	Pa×s	325.65	Calculated Property
η	0.0001265	Pa×s	357.10	Calculated Property
η	0.0001138	Pa×s	388.55	Calculated Property
η	0.0001041	Pa×s	420.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
ΔvapH	[29.14; 0.00]	kJ/mol	[136.95; 452.00]	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			3.71591e+01
Coefficient B			8.24251e-01
Coefficient C			3.87028e-04
Coefficient D			-2.25342e+00
Coefficient E			2.02461e+00
Critical temperature, Tc (K)			4.52000e+02
Temperature range, min.			136.95
Temperature range, max.			452.00
ΔvapH	29.14	kJ/mol	136.95	Calculated Property
ΔvapH	27.75	kJ/mol	171.96	Calculated Property
ΔvapH	26.59	kJ/mol	206.96	Calculated Property
ΔvapH	25.54	kJ/mol	241.97	Calculated Property
ΔvapH	24.38	kJ/mol	276.97	Calculated Property
ΔvapH	22.80	kJ/mol	311.98	Calculated Property
ΔvapH	20.35	kJ/mol	346.98	Calculated Property
ΔvapH	16.44	kJ/mol	381.99	Calculated Property
ΔvapH	10.44	kJ/mol	416.99	Calculated Property
ΔvapH	0.00	kJ/mol	452.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
Pvap	[1.33; 202.64]	kPa	[202.67; 304.33]	The Yaws Handbook of Vapor Pressure
Equation			ln(Y) = A + B/(T + C) Y is Pvap in kPa, T in K
Coefficient A			1.42524e+01
Coefficient B			-2.52653e+03
Coefficient C			-2.17500e+01
Temperature range, min.			202.67
Temperature range, max.			304.33
Pvap	1.33	kPa	202.67	Calculated Property
Pvap	3.03	kPa	213.97	Calculated Property
Pvap	6.28	kPa	225.26	Calculated Property
Pvap	12.07	kPa	236.56	Calculated Property
Pvap	21.72	kPa	247.85	Calculated Property
Pvap	36.96	kPa	259.15	Calculated Property
Pvap	59.93	kPa	270.44	Calculated Property
Pvap	93.18	kPa	281.74	Calculated Property
Pvap	139.65	kPa	293.03	Calculated Property
Pvap	202.64	kPa	304.33	Calculated Property
Pvap	[1.22e-04; 2006.96]	kPa	[136.95; 452.00]	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			4.63681e+01
Coefficient B			-4.55962e+03
Coefficient C			-4.46417e+00
Coefficient D			-6.77196e-06
Coefficient E			2.00000e+00
Temperature range, min.			136.95
Temperature range, max.			452.00
Pvap	1.22e-04	kPa	136.95	Calculated Property
Pvap	0.04	kPa	171.96	Calculated Property
Pvap	1.27	kPa	206.96	Calculated Property
Pvap	13.80	kPa	241.97	Calculated Property
Pvap	72.25	kPa	276.97	Calculated Property
Pvap	234.24	kPa	311.98	Calculated Property
Pvap	544.49	kPa	346.98	Calculated Property
Pvap	994.45	kPa	381.99	Calculated Property
Pvap	1515.34	kPa	416.99	Calculated Property
Pvap	2006.96	kPa	452.00	Calculated Property
Pvap	[0.13; 100.49]	kPa	[184.00; 291.70]	NIST
Equation			ln(Y) = A + B/(T + C) Y is Pvap in kPa, T in K
Coefficient A			1.33126e+01
Coefficient B			-2.16812e+03
Coefficient C			-4.25650e+01
Reference			Stull, 1947
Comment			Coefficents calculated by NIST from author's data.
Temperature range, min.			184.00
Temperature range, max.			291.70
Pvap	0.13	kPa	184.00	Calculated Property
Pvap	0.44	kPa	195.97	Calculated Property
Pvap	1.22	kPa	207.93	Calculated Property
Pvap	2.96	kPa	219.90	Calculated Property
Pvap	6.42	kPa	231.87	Calculated Property
Pvap	12.68	kPa	243.83	Calculated Property
Pvap	23.22	kPa	255.80	Calculated Property
Pvap	39.85	kPa	267.77	Calculated Property
Pvap	64.78	kPa	279.73	Calculated Property
Pvap	100.49	kPa	291.70	Calculated Property

Property	Value	Unit	Temperature (K)	Source
ρl	[823.57; 211.23]	kg/m3	[136.95; 452.00]	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			4.67839e+01
Coefficient B			2.21480e-01
Coefficient C			4.52000e+02
Coefficient D			2.83730e-01
Temperature range, min.			136.95
Temperature range, max.			452.00
ρl	823.57	kg/m3	136.95	Calculated Property
ρl	787.55	kg/m3	171.96	Calculated Property
ρl	749.95	kg/m3	206.96	Calculated Property
ρl	710.37	kg/m3	241.97	Calculated Property
ρl	668.23	kg/m3	276.97	Calculated Property
ρl	622.65	kg/m3	311.98	Calculated Property
ρl	572.06	kg/m3	346.98	Calculated Property
ρl	513.36	kg/m3	381.99	Calculated Property
ρl	438.10	kg/m3	416.99	Calculated Property
ρl	211.23	kg/m3	452.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
γ	[0.04; 5.52e-06]	N/m	[136.95; 446.96]	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			-7.19040e-03
Coefficient B			5.83580e+01
Coefficient C			-3.60320e+00
Coefficient D			2.55600e-03
Coefficient E			-1.30350e-05
Comment			Range stopped where the equation turns negative; ChemSep gives it to 452 K.
Temperature range, min.			136.95
Temperature range, max.			446.96
γ	0.04	N/m	136.95	Calculated Property
γ	0.03	N/m	171.40	Calculated Property
γ	0.03	N/m	205.84	Calculated Property
γ	0.02	N/m	240.29	Calculated Property
γ	0.02	N/m	274.73	Calculated Property
γ	0.01	N/m	309.18	Calculated Property
γ	0.01	N/m	343.62	Calculated Property
γ	0.01	N/m	378.07	Calculated Property
γ	0.00	N/m	412.51	Calculated Property
γ	5.52e-06	N/m	446.96	Calculated Property

Property	Value	Unit	Temperature (K)	Source
λgas	[0.00; 0.09]	W/m×K	[136.95; 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			8.54340e-05
Coefficient B			1.03590e+00
Coefficient C			1.27530e+02
Coefficient D			7.83420e+04
Temperature range, min.			136.95
Temperature range, max.			1000.00
λgas	0.00	W/m×K	136.95	Calculated Property
λgas	0.01	W/m×K	232.84	Calculated Property
λgas	0.02	W/m×K	328.74	Calculated Property
λgas	0.03	W/m×K	424.63	Calculated Property
λgas	0.04	W/m×K	520.53	Calculated Property
λgas	0.05	W/m×K	616.42	Calculated Property
λgas	0.06	W/m×K	712.32	Calculated Property
λgas	0.07	W/m×K	808.21	Calculated Property
λgas	0.08	W/m×K	904.11	Calculated Property
λgas	0.09	W/m×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
λliquid	[0.17; 0.08]	W/m×K	[136.95; 424.31]	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			-2.93440e-01
Coefficient B			3.13140e+00
Coefficient C			-7.07010e-01
Coefficient D			-5.27020e-04
Coefficient E			-3.66650e-07
Temperature range, min.			136.95
Temperature range, max.			424.31
λliquid	0.17	W/m×K	136.95	Calculated Property
λliquid	0.16	W/m×K	168.88	Calculated Property
λliquid	0.15	W/m×K	200.81	Calculated Property
λliquid	0.14	W/m×K	232.74	Calculated Property
λliquid	0.13	W/m×K	264.67	Calculated Property
λliquid	0.12	W/m×K	296.59	Calculated Property
λliquid	0.11	W/m×K	328.52	Calculated Property
λliquid	0.10	W/m×K	360.45	Calculated Property
λliquid	0.09	W/m×K	392.38	Calculated Property
λliquid	0.08	W/m×K	424.31	Calculated Property

Similar Compounds

Find more compounds similar to 1,2-Butadiene.

Sources

• 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).
• Hankinson and Thomson (1979), COSTALD parameters ChEDL chemicals 1.5.2, from Hankinson, R. W.; Thomson, G. H. A New Correlation for Saturated Densities of Liquids and Their Mixtures. AIChE J. 1979, 25, 653-663.
• Passut and Danner (1973), critical constants and acentric factors ChEDL chemicals 1.5.2, from Passut, C. A.; Danner, R. P. Acentric Factor. A Valuable Correlating Parameter for the Properties of Hydrocarbons. Ind. Eng. Chem. Process Des. Dev. 1973, 12, 365-368.
• 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.
• Staveley, Lobo and Calado (1981), triple points ChEDL chemicals 1.5.2, from Staveley, L. A. K.; Lobo, L. Q.; Calado, J. C. G. Triple-Points of Low Melting Substances and Their Use in Cryogenic Work. Cryogenics 1981, 21, 131-144.
• 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
• Joback Method
• KDB
• McGowan Method
• NIST Webbook
• The Yaws Handbook of Vapor Pressure
• Zabransky, M., Ruzicka, V., Majer, V. and Domalski, E. (1997), Heat Capacity of Liquids: Critical Review and Recommended Values - Monograph No. 6, J. Phys. & Chem. Ref. Data (JPCRD), National Institute of Standards and Technology, Gaithersburg, MD

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