Chemical Properties of 1,3-Butadiene (CAS 106-99-0)

InChI

InChI=1S/C4H6/c1-3-4-2/h3-4H,1-2H2

InChI Key

KAKZBPTYRLMSJV-UHFFFAOYSA-N

Formula

C4H6

SMILES

C=CC=C

Molecular Weight¹

54.09

CAS

106-99-0

Other Names

• .alpha.,.gamma.-butadiene
• Buta-1,3-dieen
• Buta-1,3-dien
• Buta-1,3-diene
• Butadieen
• Butadien
• Butadiene
• CH2=CHCH=CH2
• NCI-C50602
• Pyrrolylene
• TRANS-BUTADIENE
• Vinylethylene
• biethylene
• bivinyl
• butadiene-1,3
• divinyl
• erythrene
• «alpha»,«gamma»-Butadiene

• ω : Acentric Factor.
• PAff : Proton affinity (kJ/mol).
• T_ig : Autoignition Temperature (K).
• BasG : Gas basicity (kJ/mol).
• Δ_cH°_gas : Standard gas enthalpy of combustion (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).
• 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_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_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).
• ρ_c : Critical density (kg/m³).
• 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	[0.1814; 0.1950]
ω	0.1950		PSRK revision IV (2005), critical constants and acentric factors of 1000 components Compiled value
ω	0.1814		Passut and Danner (1973), critical constants and acentric factors Compiled value
ω	0.1950		ChemSep v8.3 pure component data Compiled value
ω	0.1950		KDB
PAff	783.40	kJ/mol	NIST
Tig	693.15	K	KDB
BasG	757.60	kJ/mol	NIST
ΔcH°gas	-2540.40 ± 0.75	kJ/mol	NIST
ΔcH°liquid	-2522.10 ± 0.96	kJ/mol	NIST
μ	[0.00; 0.00]	debye
μ	0.00	debye	ChemSep v8.3 pure component data Compiled value
μ	0.00	debye	KDB
LFL	2.00	% in Air	KDB
UFL	11.50	% in Air	KDB
Tflash,cc	197.04	K	KDB
Tflash,oc	197.04	K	KDB
ΔfG°	[149.72; 150.80]	kJ/mol
ΔfG°	149.72	kJ/mol	ChemSep v8.3 pure component data Compiled value
ΔfG°	150.80	kJ/mol	KDB
Δc,grossH	2520.11	kJ/mol	KDB
Δc,netH	2388.060	kJ/mol	KDB
ΔfH°gas	[108.80; 111.90]	kJ/mol
ΔfH°gas	109.24	kJ/mol	ChemSep v8.3 pure component data Compiled value
ΔfH°gas	110.20	kJ/mol	KDB
ΔfH°gas	108.80 ± 0.79	kJ/mol	NIST
ΔfH°gas	111.90 ± 0.96	kJ/mol	NIST
ΔfH°liquid	90.50 ± 0.96	kJ/mol	NIST
ΔfusH°	3.56	kJ/mol	Joback Calculated Property
ΔvapH°	[21.10; 21.47]	kJ/mol
ΔvapH°	21.47	kJ/mol	NIST
ΔvapH°	21.10	kJ/mol	NIST
ΔvapH°	21.10	kJ/mol	NIST
IE	[9.03; 9.20]	eV
IE	9.07 ± 0.01	eV	NIST
IE	9.08 ± 0.00	eV	NIST
IE	9.07	eV	NIST
IE	9.09	eV	NIST
IE	9.03	eV	NIST
IE	9.03	eV	NIST
IE	9.03 ± 0.02	eV	NIST
IE	9.07	eV	NIST
IE	9.06	eV	NIST
IE	9.06 ± 0.02	eV	NIST
IE	9.09 ± 0.05	eV	NIST
IE	9.07 ± 0.02	eV	NIST
IE	9.07	eV	NIST
IE	Outlier 9.20	eV	NIST
IE	Outlier 9.18 ± 0.04	eV	NIST
IE	9.09 ± 0.03	eV	NIST
IE	9.07 ± 0.01	eV	NIST
IE	9.07 ± 0.01	eV	NIST
IE	9.06 ± 0.01	eV	NIST
IE	9.03	eV	NIST
log10WS	[-1.87; -1.87]
log10WS	-1.87		Aq. Solubility Prediction
log10WS	-1.87		Estimated Solubility
logPoct/wat	1.358		Crippen Calculated Property
McVol	58.620	ml/mol	McGowan Calculated Property
NFPA Fire	4		KDB
NFPA Health	2		KDB
NFPA Safety	2		KDB
Pc	[4320.00; 4329.91]	kPa
Pc	4320.00	kPa	IUPAC Vapor-Liquid Critical Properties of Elements and Compounds, part 6 Compiled value
Pc	4326.58	kPa	PSRK revision IV (2005), critical constants and acentric factors of 1000 components Compiled value
Pc	4329.91	kPa	Passut and Danner (1973), critical constants and acentric factors Compiled value
Pc	4320.00	kPa	ChemSep v8.3 pure component data Compiled value
Pc	4320.00	kPa	KDB
Pc	4320.00 ± 100.00	kPa	NIST
Ptriple	0.07	kPa	ChemSep v8.3 pure component data Compiled value
ρc	245.03 ± 5.41	kg/m3	NIST
Inp	[385.60; 412.00]
Inp	395.00		NIST
Inp	400.00		NIST
Inp	394.30		NIST
Inp	397.00		NIST
Inp	385.60		NIST
Inp	386.00		NIST
Inp	387.00		NIST
Inp	388.00		NIST
Inp	405.00		NIST
Inp	389.00		NIST
Inp	393.00		NIST
Inp	395.00		NIST
Inp	403.00		NIST
Inp	395.00		NIST
Inp	395.00		NIST
Inp	390.00		NIST
Inp	Outlier 412.00		NIST
Inp	394.00		NIST
Inp	395.00		NIST
Inp	389.00		NIST
Inp	398.00		NIST
Inp	395.00		NIST
Inp	396.00		NIST
Inp	390.00		NIST
Inp	392.00		NIST
Inp	393.00		NIST
Inp	395.00		NIST
Inp	404.00		NIST
Inp	390.00		NIST
Inp	400.00		NIST
Inp	386.00		NIST
Inp	389.00		NIST
Ip	[487.00; 507.00]
Ip	507.00		NIST
Ip	487.00		NIST
S°liquid	199.00	J/mol×K	NIST
Tboil	[268.20; 270.55]	K
Tboil	268.62	K	ChemSep v8.3 pure component data Compiled value
Tboil	268.74	K	KDB
Tboil	268.70	K	NIST
Tboil	268.70	K	NIST
Tboil	268.75	K	NIST
Tboil	268.70 ± 0.40	K	NIST
Tboil	268.70 ± 2.00	K	NIST
Tboil	268.80 ± 0.40	K	NIST
Tboil	268.70 ± 0.50	K	NIST
Tboil	268.70 ± 0.40	K	NIST
Tboil	268.20 ± 1.00	K	NIST
Tboil	268.61 ± 0.20	K	NIST
Tboil	Outlier 270.55 ± 1.00	K	NIST
Tboil	268.40 ± 1.00	K	NIST
Tc	[425.00; 425.37]	K
Tc	425.00	K	IUPAC Vapor-Liquid Critical Properties of Elements and Compounds, part 6 Compiled value
Tc	425.00	K	PSRK revision IV (2005), critical constants and acentric factors of 1000 components Compiled value
Tc	Outlier 425.37	K	Passut and Danner (1973), critical constants and acentric factors Compiled value
Tc	425.00	K	ChemSep v8.3 pure component data Compiled value
Tc	425.00	K	KDB
Tc	425.00 ± 1.00	K	NIST
Tc	425.00	K	NIST
Tfus	[162.20; 164.50]	K
Tfus	Outlier 162.20	K	Jean-Claude Bradley Open Melting Point Dataset (2014, CC0) Compiled value
Tfus	164.25	K	ChemSep v8.3 pure component data Compiled value
Tfus	164.20	K	KDB
Tfus	Outlier 162.20	K	Aq. Solubility Prediction
Tfus	164.25	K	NIST
Tfus	164.30 ± 0.40	K	NIST
Tfus	164.21 ± 0.04	K	NIST
Tfus	164.21 ± 0.03	K	NIST
Tfus	164.22 ± 0.04	K	NIST
Tfus	164.23 ± 0.02	K	NIST
Tfus	164.50 ± 0.20	K	NIST
Ttriple	[164.24; 164.25]	K
Ttriple	164.25	K	Staveley, Lobo and Calado (1981), triple points Compiled value
Ttriple	164.25	K	ChemSep v8.3 pure component data Compiled value
Ttriple	164.24 ± 0.02	K	NIST
UQi	2.35		ChemSep v8.3 pure component data Compiled value
URi	2.69		ChemSep v8.3 pure component data Compiled value
Vc	[0.221; 0.221]	m3/kmol
Vc	0.221	m3/kmol	IUPAC Vapor-Liquid Critical Properties of Elements and Compounds, part 6 Compiled value
Vc	0.221	m3/kmol	PSRK revision IV (2005), critical constants and acentric factors of 1000 components Compiled value
Vc	0.221	m3/kmol	ChemSep v8.3 pure component data Compiled value
Vc	0.221	m3/kmol	KDB
Vc	0.221	m3/kmol	NIST
VCOSTALD	0.22	m3/kmol	Hankinson and Thomson (1979), COSTALD parameters Compiled value
ωSRK	0.19		Hankinson and Thomson (1979), COSTALD parameters Compiled value
Zc	[0.2700000; 0.2701780]
Zc	0.2700000		IUPAC Vapor-Liquid Critical Properties of Elements and Compounds, part 6 Compiled value
Zc	0.2700000		ChemSep v8.3 pure component data Compiled value
Zc	0.2701780		KDB
Zra	[0.27; 0.27]
Zra	0.27		Hankinson and Thomson (1979), COSTALD parameters Compiled value
Zra	0.27		ChemSep v8.3 pure component data Compiled value
Zra	0.27		KDB

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,liquid	[103.40; 124.60]	J/mol×K	[170.00; 300.00]
Cp,liquid	103.40	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	103.80	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	104.30	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	105.10	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	106.00	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	107.20	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	108.60	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	110.30	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	112.10	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	114.20	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	116.50	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	117.20	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	118.90	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	121.70	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	124.00	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
Cp,liquid	123.65	J/mol×K	298.15	NIST
Cp,liquid	124.60	J/mol×K	300.00	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
ΔfusH	[7.98; 7.98]	kJ/mol	[164.20; 164.24]
ΔfusH	7.98	kJ/mol	164.20	NIST
ΔfusH	7.98	kJ/mol	164.20	NIST
ΔfusH	7.98	kJ/mol	164.24	NIST
ΔvapH	[0.08; 25.70]	kJ/mol	[203.00; 402.50]
ΔvapH	25.70	kJ/mol	203.00	NIST
ΔvapH	24.70	kJ/mol	220.00	NIST
ΔvapH	23.70	kJ/mol	234.50	NIST
ΔvapH	23.60	kJ/mol	244.50	NIST
ΔvapH	22.47	kJ/mol	268.70	KDB
ΔvapH	22.47	kJ/mol	268.70	NIST
ΔvapH	0.08	kJ/mol	273.15	NIST
ΔvapH	23.00	kJ/mol	294.00	NIST
ΔvapH	22.40	kJ/mol	348.50	NIST
ΔvapH	22.90	kJ/mol	402.50	NIST
ρl	621.00	kg/m3	293.00	KDB
ΔfusS	48.61	J/mol×K	164.24	NIST
γ	0.02	N/m	233.20	KDB
ΔvapS	280.64	J/mol×K	273.15	NIST

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[38.64; 196.05]	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			3.82385e+01
Coefficient B			-5.11235e+02
Coefficient C			5.48562e+00
Coefficient D			-1.21482e-04
Coefficient E			4.39211e-08
Temperature range, min.			80.00
Temperature range, max.			1500.00
Cp,gas	38.64	J/mol×K	80.00	Calculated Property
Cp,gas	65.60	J/mol×K	237.78	Calculated Property
Cp,gas	101.80	J/mol×K	395.56	Calculated Property
Cp,gas	128.97	J/mol×K	553.33	Calculated Property
Cp,gas	148.46	J/mol×K	711.11	Calculated Property
Cp,gas	162.81	J/mol×K	868.89	Calculated Property
Cp,gas	173.78	J/mol×K	1026.67	Calculated Property
Cp,gas	182.51	J/mol×K	1184.44	Calculated Property
Cp,gas	189.77	J/mol×K	1342.22	Calculated Property
Cp,gas	196.05	J/mol×K	1500.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
Cp,liquid	[103.36; 141.47]	J/mol×K	[164.24; 350.00]	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			8.81660e+01
Coefficient B			5.83440e+02
Coefficient C			-5.08466e+00
Coefficient D			3.01180e-02
Coefficient E			-2.56950e-05
Temperature range, min.			164.24
Temperature range, max.			350.00
Cp,liquid	103.36	J/mol×K	164.24	Calculated Property
Cp,liquid	103.98	J/mol×K	184.88	Calculated Property
Cp,liquid	105.61	J/mol×K	205.52	Calculated Property
Cp,liquid	108.10	J/mol×K	226.16	Calculated Property
Cp,liquid	111.44	J/mol×K	246.80	Calculated Property
Cp,liquid	115.66	J/mol×K	267.44	Calculated Property
Cp,liquid	120.77	J/mol×K	288.08	Calculated Property
Cp,liquid	126.81	J/mol×K	308.72	Calculated Property
Cp,liquid	133.73	J/mol×K	329.36	Calculated Property
Cp,liquid	141.47	J/mol×K	350.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0002549; 0.0000487]	Pa×s	[250.00; 400.00]	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			1.26530e+01
Coefficient B			-1.39120e+02
Coefficient C			-3.67350e+00
Coefficient D			-1.40930e-06
Coefficient E			2.00000e+00
Temperature range, min.			250.00
Temperature range, max.			400.00
η	0.0002549	Pa×s	250.00	Calculated Property
η	0.0002057	Pa×s	266.67	Calculated Property
η	0.0001676	Pa×s	283.33	Calculated Property
η	0.0001377	Pa×s	300.00	Calculated Property
η	0.0001140	Pa×s	316.67	Calculated Property
η	0.0000951	Pa×s	333.33	Calculated Property
η	0.0000798	Pa×s	350.00	Calculated Property
η	0.0000673	Pa×s	366.67	Calculated Property
η	0.0000571	Pa×s	383.33	Calculated Property
η	0.0000487	Pa×s	400.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
ΔvapH	[27.51; 8.78]	kJ/mol	[164.25; 413.15]	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			3.42110e+01
Coefficient B			4.59810e-01
Coefficient C			1.62470e-02
Coefficient D			-1.54070e-01
Coefficient E			5.44760e-02
Critical temperature, Tc (K)			4.25000e+02
Temperature range, min.			164.25
Temperature range, max.			413.15
ΔvapH	27.51	kJ/mol	164.25	Calculated Property
ΔvapH	26.25	kJ/mol	191.91	Calculated Property
ΔvapH	24.94	kJ/mol	219.56	Calculated Property
ΔvapH	23.56	kJ/mol	247.22	Calculated Property
ΔvapH	22.08	kJ/mol	274.87	Calculated Property
ΔvapH	20.47	kJ/mol	302.53	Calculated Property
ΔvapH	18.63	kJ/mol	330.18	Calculated Property
ΔvapH	16.45	kJ/mol	357.84	Calculated Property
ΔvapH	13.60	kJ/mol	385.49	Calculated Property
ΔvapH	8.78	kJ/mol	413.15	Calculated Property

Property	Value	Unit	Temperature (K)	Source
Pvap	[0.07; 4264.68]	kPa	[164.00; 425.00]	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			5.79104e+01
Coefficient B			-4.31479e+03
Coefficient C			-6.76648e+00
Coefficient D			8.58972e-06
Coefficient E			2.00000e+00
Comment			Range stopped at Tc; ChemSep gives it to 425.1 K.
Temperature range, min.			164.00
Temperature range, max.			425.00
Pvap	0.07	kPa	164.00	Calculated Property
Pvap	1.30	kPa	193.00	Calculated Property
Pvap	10.39	kPa	222.00	Calculated Property
Pvap	48.10	kPa	251.00	Calculated Property
Pvap	155.43	kPa	280.00	Calculated Property
Pvap	392.40	kPa	309.00	Calculated Property
Pvap	832.59	kPa	338.00	Calculated Property
Pvap	1559.16	kPa	367.00	Calculated Property
Pvap	2666.02	kPa	396.00	Calculated Property
Pvap	4264.68	kPa	425.00	Calculated Property
Pvap	[0.07; 4335.16]	kPa	[164.25; 425.37]	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			6.83069e+01
Coefficient B			-4.61105e+03
Coefficient C			-8.47488e+00
Coefficient D			1.21908e-05
Coefficient E			0.00000e+00
Temperature range, min.			164.25
Temperature range, max.			425.37
Pvap	0.07	kPa	164.25	Calculated Property
Pvap	1.34	kPa	193.26	Calculated Property
Pvap	10.67	kPa	222.28	Calculated Property
Pvap	48.90	kPa	251.29	Calculated Property
Pvap	156.21	kPa	280.30	Calculated Property
Pvap	390.73	kPa	309.32	Calculated Property
Pvap	825.19	kPa	338.33	Calculated Property
Pvap	1547.46	kPa	367.34	Calculated Property
Pvap	2668.00	kPa	396.36	Calculated Property
Pvap	4335.16	kPa	425.37	Calculated Property
Pvap	[1.95; 114.05]	kPa	[197.70; 271.70]	NIST
Equation			ln(Y) = A + B/(T + C) Y is Pvap in kPa, T in K
Coefficient A			1.38109e+01
Coefficient B			-2.16826e+03
Coefficient C			-3.27530e+01
Reference			Heisig, 1933
Comment			Coefficents calculated by NIST from author's data.
Temperature range, min.			197.70
Temperature range, max.			271.70
Pvap	1.95	kPa	197.70	Calculated Property
Pvap	3.63	kPa	205.92	Calculated Property
Pvap	6.41	kPa	214.14	Calculated Property
Pvap	10.76	kPa	222.37	Calculated Property
Pvap	17.30	kPa	230.59	Calculated Property
Pvap	26.80	kPa	238.81	Calculated Property
Pvap	40.13	kPa	247.03	Calculated Property
Pvap	58.32	kPa	255.26	Calculated Property
Pvap	82.54	kPa	263.48	Calculated Property
Pvap	114.05	kPa	271.70	Calculated Property

Property	Value	Unit	Temperature (K)	Source
ρl	[760.89; 392.70]	kg/m3	[164.20; 413.10]	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			7.20160e+01
Coefficient B			2.82130e-01
Coefficient C			4.25000e+02
Coefficient D			3.01370e-01
Temperature range, min.			164.20
Temperature range, max.			413.10
ρl	760.89	kg/m3	164.20	Calculated Property
ρl	733.78	kg/m3	191.86	Calculated Property
ρl	705.41	kg/m3	219.51	Calculated Property
ρl	675.50	kg/m3	247.17	Calculated Property
ρl	643.63	kg/m3	274.82	Calculated Property
ρl	609.17	kg/m3	302.48	Calculated Property
ρl	571.10	kg/m3	330.13	Calculated Property
ρl	527.48	kg/m3	357.79	Calculated Property
ρl	473.87	kg/m3	385.44	Calculated Property
ρl	392.70	kg/m3	413.10	Calculated Property

Property	Value	Unit	Temperature (K)	Source
γ	[0.03; 5.92e-04]	N/m	[164.25; 411.28]	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			-1.71490e-02
Coefficient B			-4.92010e+00
Coefficient C			-2.62010e+00
Coefficient D			-1.72120e-03
Coefficient E			-4.09040e-06
Temperature range, min.			164.25
Temperature range, max.			411.28
γ	0.03	N/m	164.25	Calculated Property
γ	0.03	N/m	191.70	Calculated Property
γ	0.02	N/m	219.15	Calculated Property
γ	0.02	N/m	246.59	Calculated Property
γ	0.02	N/m	274.04	Calculated Property
γ	0.01	N/m	301.49	Calculated Property
γ	0.01	N/m	328.94	Calculated Property
γ	0.01	N/m	356.38	Calculated Property
γ	0.00	N/m	383.83	Calculated Property
γ	5.92e-04	N/m	411.28	Calculated Property

Property	Value	Unit	Temperature (K)	Source
λgas	[0.00; 0.17]	W/m×K	[164.25; 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			-1.85880e+04
Coefficient B			9.41950e-01
Coefficient C			-7.31000e+10
Coefficient D			-9.69750e+11
Temperature range, min.			164.25
Temperature range, max.			1000.00
λgas	0.00	W/m×K	164.25	Calculated Property
λgas	0.01	W/m×K	257.11	Calculated Property
λgas	0.02	W/m×K	349.97	Calculated Property
λgas	0.03	W/m×K	442.83	Calculated Property
λgas	0.05	W/m×K	535.69	Calculated Property
λgas	0.07	W/m×K	628.56	Calculated Property
λgas	0.09	W/m×K	721.42	Calculated Property
λgas	0.11	W/m×K	814.28	Calculated Property
λgas	0.14	W/m×K	907.14	Calculated Property
λgas	0.17	W/m×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
λliquid	[0.16; 0.08]	W/m×K	[164.25; 386.43]	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			-9.68530e-02
Coefficient B			1.90160e+01
Coefficient C			-1.42010e+00
Coefficient D			2.00990e-04
Coefficient E			-2.95360e-06
Temperature range, min.			164.25
Temperature range, max.			386.43
λliquid	0.16	W/m×K	164.25	Calculated Property
λliquid	0.15	W/m×K	188.94	Calculated Property
λliquid	0.14	W/m×K	213.62	Calculated Property
λliquid	0.14	W/m×K	238.31	Calculated Property
λliquid	0.13	W/m×K	263.00	Calculated Property
λliquid	0.12	W/m×K	287.68	Calculated Property
λliquid	0.11	W/m×K	312.37	Calculated Property
λliquid	0.10	W/m×K	337.06	Calculated Property
λliquid	0.09	W/m×K	361.74	Calculated Property
λliquid	0.08	W/m×K	386.43	Calculated Property

Similar Compounds

Find more compounds similar to 1,3-Butadiene.

Mixtures

• Acetonitrile + 1,3-Butadiene
• Acetonitrile + 1,3-Butadiene + Water
• 1,3-Butadiene + Ethyl ether
• 1,3-Butadiene + Ethyl Acetate
• Benzene + 1,3-Butadiene
• 1,3-Butadiene + Cyclohexane
• n-Hexane + 1,3-Butadiene
• 1,3-Butadiene + Methyl Alcohol
• 1,3-Butadiene + 1-Pentanol
• 2-Pentanol + 1,3-Butadiene
• 1,3-Butadiene + 3-Pentanol
• 1-Propanol + 1,3-Butadiene
• 1,3-Butadiene + 1-Propanol, 2-methyl-
• 2-Propanol, 2-methyl- + 1,3-Butadiene
• Tetrahydropyran + 1,3-Butadiene
• 1,3-Butadiene + 1-Butanol, 2-methyl-
• 1-Butanol, 3-methyl- + 1,3-Butadiene
• 1,3-Butadiene + Amylene hydrate
• Allyl alcohol + 1,3-Butadiene
• 2-Propanol + 1,3-Butadiene

Find more mixtures with 1,3-Butadiene.

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).
• 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.
• IUPAC Vapor-Liquid Critical Properties of Elements and Compounds, part 6 ChEDL chemicals 1.5.2, from Tsonopoulos, C.; Ambrose, D. Vapor-Liquid Critical Properties of Elements and Compounds. 6. Unsaturated Aliphatic Hydrocarbons. J. Chem. Eng. Data 1996, 41, 645-656.
• 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
• Dortmund Data Bank Vapor-Liquid Equilibrium Data
• Henry s law constants of 1-butene, 2-methylpropene, trans-2-butene, and 1,3-butadiene in methanol at 374 490K
• Henry's constants and infinite dilution activity coefficients of propane, propene, butane, isobutene, 1-butene, isobutane, trans-2-butene and 1,3-butadiene in 1-propanol at T=(260 to 340) K
• Henry's constants and infinite dilution activity coefficients of propane, propene, butane, isobutane, 1-butene, isobutene, trans-2-butene, and 1,3-butadiene in isobutanol and tert-butanol
• Henry's constants and infinite dilution activity coefficients of propane, propene, butane, isobutane, 1-butene, isobutene, trans-2-butene, and 1,3-butadiene in 1-pentanol, 2-pentanol and 3-pentanol
• Henry's Constants and Infinite Dilution Activity Coefficients of Propane, Propene, Butane, Isobutane, 1-Butene, Isobutene, trans-2-Butene, and 1,3-butadiene in 2-propanol at 250-330 K
• Henry's Constants and Infinite Dilution Activity Coefficients of Propane, Propene, Butane, Isobutane, 1-Butene, Isobutene, trans-2-Butene and 1,3-Butadiene in 1-Butanol and 2-Butanol at (250 to 330) K
• Henry's law constants and infinite dilution activity coefficients of propane, propene, butane, isobutane, 1-butene, isobutene, trans-2-butene, and 1,3-butadiene in 2-methyl-1-butanol, 3-methyl-1-butanol, and 2-methyl-2-butanol
• Henry's Law Constants and Infinite Dilution Activity Coefficients of Propane, Propene, Butane, 2-Methylpropane, 1-Butene, 2-Methylpropene, trans-2-Butene, cis-2-Butene, 1,3-Butadiene, Dimethyl Ether, Chloroethane, and 1,1-Difluoroethane in 2-Propen-1-ol
• Henry s Law Constants and Infinite Dilution Activity Coefficients of Propane, Propene, Butane, 2-Methylpropane, 1-Butene, 2-Methylpropene, trans-2-Butene, cis-2-Butene, 1,3-Butadiene, Dimethyl Ether, Chloroethane, and 1,1-Difluoroethane in 2-Methyl-3-buten-2-ol and 3-Methyl-3-buten-1-ol
• Henry's Law Constants and Infinite Dilution Activity Coefficients of Propane, Propene, Butane, 2-Methylpropane, 1-Butene, 2-Methylpropene, trans-2-Butene, cis-2-Butene, 1,3-Butadiene, Dimethyl Ether, Chloroethane, and 1,1-Difluoroethane in Benzene, Toluene, o-Xylene, m-Xylene, p-Xylene, and Styrene
• Henry's Law Constants and Infinite Dilution Activity Coefficients of Propane, Propene, Butane, 2-Methylpropane, 1-Butene, 2-Methylpropene, trans-2-Butene, cis-2-Butene, 1,3-Butadiene, Dimethyl Ether, Chloroethane, and 1,1-Difluoroethane in 2-Methylphenol, 3-Methylphenol, and 4-Methylphenol
• Henry s Law Constants and Infinite Dilution Activity Coefficients of Propane, Propene, Butane, 2-Methylpropane, 1-Butene, 2-Methylpropene, trans-2-Butene, cis-2-Butene, 1,3-Butadiene, Dimethylether, Chloroethane, 1,1-Difluoroethane, and Hexane in Tetrahydropyran
• Joback Method
• KDB
• Aqueous Solubility Prediction Method
• Estimated Solubility Method
• McGowan Method
• NIST Webbook
• 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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