Chemical Properties of 1-Butyne (CAS 107-00-6)

InChI

InChI=1S/C4H6/c1-3-4-2/h1H,4H2,2H3

InChI Key

KDKYADYSIPSCCQ-UHFFFAOYSA-N

Formula

C4H6

SMILES

C#CCC

Molecular Weight¹

54.09

CAS

107-00-6

Other Names

• Butyne-1
• C2H5C«equiv»CH
• Ethyl acetylene, inhibited
• Ethylacetylene
• Ethylethyne
• UN 2452
• but-1-yne

• ω : Acentric Factor.
• 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).
• log₁₀WS : Log10 of Water solubility in mol/l.
• 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_c : Critical density (kg/m³).
• ρ_g : Gas Density (kg/m³).
• ρ_l : Liquid Density (kg/m³).
• I_np : Non-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	[0.1182; 0.5010]
ω	0.2485		PSRK revision IV (2005), critical constants and acentric factors of 1000 components Compiled value
ω	0.5010		Passut and Danner (1973), critical constants and acentric factors Compiled value
ω	0.2450		ChemSep v8.3 pure component data Compiled value
ω	0.1182		KDB
ΔcH°gas	-2596.80 ± 0.84	kJ/mol	NIST
μ	[0.80; 0.81]	debye
μ	0.81	debye	ChemSep v8.3 pure component data Compiled value
μ	0.80	debye	KDB
ΔfG°	[202.20; 202.25]	kJ/mol
ΔfG°	202.25	kJ/mol	ChemSep v8.3 pure component data Compiled value
ΔfG°	202.20	kJ/mol	KDB
Δc,grossH	2572.53	kJ/mol	KDB
Δc,netH	2440.527	kJ/mol	KDB
ΔfH°gas	[165.20; 166.10]	kJ/mol
ΔfH°gas	165.39 ± 0.85	kJ/mol	Active Thermochemical Tables 1.112, gas-phase enthalpies of formation Compiled value
ΔfH°gas	165.20	kJ/mol	ChemSep v8.3 pure component data Compiled value
ΔfH°gas	165.30	kJ/mol	KDB
ΔfH°gas	165.20 ± 0.88	kJ/mol	NIST
ΔfH°gas	166.10 ± 2.10	kJ/mol	NIST
ΔfusH°	9.09	kJ/mol	Joback Calculated Property
ΔvapH°	[23.38; 23.79]	kJ/mol
ΔvapH°	23.79	kJ/mol	NIST
ΔvapH°	23.70	kJ/mol	NIST
ΔvapH°	23.38	kJ/mol	NIST
ΔvapH°	23.38	kJ/mol	NIST
IE	[10.18; 10.20]	eV
IE	10.18 ± 0.01	eV	NIST
IE	Outlier 10.20 ± 0.02	eV	NIST
IE	10.18 ± 0.01	eV	NIST
IE	10.18	eV	NIST
IE	10.18	eV	NIST
IE	10.18 ± 0.01	eV	NIST
log10WS	[-1.24; -1.24]
log10WS	-1.24		Aq. Solubility Prediction
log10WS	-1.24		Estimated Solubility
logPoct/wat	1.030		Crippen Calculated Property
McVol	58.620	ml/mol	McGowan Calculated Property
Pc	[4600.00; 4711.88]	kPa
Pc	4600.00	kPa	IUPAC Vapor-Liquid Critical Properties of Elements and Compounds, part 6 Compiled value
Pc	4600.00	kPa	PSRK revision IV (2005), critical constants and acentric factors of 1000 components Compiled value
Pc	Outlier 4711.88	kPa	Passut and Danner (1973), critical constants and acentric factors Compiled value
Pc	4600.00	kPa	ChemSep v8.3 pure component data Compiled value
Pc	4600.00	kPa	Air Liquide Gas Encyclopedia
Pc	4600.00	kPa	KDB
Pc	4600.00 ± 200.00	kPa	NIST
Ptriple	1.18e-03	kPa	ChemSep v8.3 pure component data Compiled value
ρc	259.63 ± 10.82	kg/m3	NIST
Inp	[385.00; 424.00]
Inp	414.00		NIST
Inp	385.00		NIST
Inp	385.00		NIST
Inp	385.00		NIST
Inp	385.00		NIST
Inp	420.00		NIST
Inp	424.00		NIST
Inp	408.00		NIST
Inp	417.00		NIST
Inp	416.00		NIST
Inp	385.00		NIST
Inp	385.00		NIST
Inp	408.00		NIST
Inp	424.00		NIST
S°liquid	197.48	J/mol×K	NIST
Tboil	[281.05; 292.65]	K
Tboil	281.21	K	ChemSep v8.3 pure component data Compiled value
Tboil	281.23	K	Air Liquide Gas Encyclopedia
Tboil	281.23	K	KDB
Tboil	281.20	K	NIST
Tboil	281.30	K	NIST
Tboil	281.20	K	NIST
Tboil	281.85 ± 0.50	K	NIST
Tboil	281.25 ± 0.20	K	NIST
Tboil	281.15 ± 0.40	K	NIST
Tboil	281.25 ± 0.30	K	NIST
Tboil	281.25 ± 0.30	K	NIST
Tboil	281.35 ± 0.30	K	NIST
Tboil	Outlier 292.65	K	NIST
Tboil	281.15 ± 1.50	K	NIST
Tboil	281.05 ± 0.50	K	NIST
Tboil	281.15 ± 1.50	K	NIST
Tboil	281.65 ± 0.60	K	NIST
Tboil	281.70 ± 0.50	K	NIST
Tboil	281.15 ± 1.00	K	NIST
Tboil	Outlier 291.00 ± 3.00	K	NIST
Tboil	281.45 ± 0.60	K	NIST
Tboil	281.55 ± 0.60	K	NIST
Tboil	281.65 ± 0.60	K	NIST
Tboil	Outlier 291.65	K	NIST
Tc	[440.00; 463.71]	K
Tc	440.00	K	IUPAC Vapor-Liquid Critical Properties of Elements and Compounds, part 6 Compiled value
Tc	440.00	K	PSRK revision IV (2005), critical constants and acentric factors of 1000 components Compiled value
Tc	463.71	K	Passut and Danner (1973), critical constants and acentric factors Compiled value
Tc	440.00	K	ChemSep v8.3 pure component data Compiled value
Tc	463.65	K	Air Liquide Gas Encyclopedia
Tc	440.00	K	KDB
Tc	440.00 ± 2.00	K	NIST
Tc	463.60	K	NIST
Tfus	[147.28; 150.65]	K
Tfus	147.45	K	Jean-Claude Bradley Open Melting Point Dataset (2014, CC0) Compiled value
Tfus	147.43	K	ChemSep v8.3 pure component data Compiled value
Tfus	147.45	K	Air Liquide Gas Encyclopedia
Tfus	147.43	K	KDB
Tfus	147.45	K	Aq. Solubility Prediction
Tfus	147.28 ± 0.20	K	NIST
Tfus	147.39 ± 0.50	K	NIST
Tfus	147.49 ± 0.30	K	NIST
Tfus	147.49 ± 0.20	K	NIST
Tfus	Outlier 150.65 ± 0.60	K	NIST
Ttriple	[147.41; 147.45]	K
Ttriple	147.44	K	Staveley, Lobo and Calado (1981), triple points Compiled value
Ttriple	147.43	K	ChemSep v8.3 pure component data Compiled value
Ttriple	147.45 ± 0.08	K	NIST
Ttriple	147.41 ± 0.06	K	NIST
Ttriple	147.45 ± 0.08	K	NIST
Ttriple	147.41 ± 0.06	K	NIST
UQi	2.48		ChemSep v8.3 pure component data Compiled value
URi	2.87		ChemSep v8.3 pure component data Compiled value
Vc	[0.208; 0.208]	m3/kmol
Vc	0.208	m3/kmol	IUPAC Vapor-Liquid Critical Properties of Elements and Compounds, part 6 Compiled value
Vc	0.208	m3/kmol	PSRK revision IV (2005), critical constants and acentric factors of 1000 components Compiled value
Vc	0.208	m3/kmol	ChemSep v8.3 pure component data Compiled value
Vc	0.208	m3/kmol	KDB
Vc	0.208	m3/kmol	NIST
VCOSTALD	0.23	m3/kmol	Hankinson and Thomson (1979), COSTALD parameters Compiled value
ωSRK	0.10		Hankinson and Thomson (1979), COSTALD parameters Compiled value
Zc	[0.2615360; 0.2620000]
Zc	0.2620000		ChemSep v8.3 pure component data Compiled value
Zc	0.2615360		KDB
Zra	[0.27; 0.27]
Zra	0.27		Hankinson and Thomson (1979), COSTALD parameters Compiled value
Zra	0.27		KDB

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,liquid	[114.30; 132.42]	J/mol×K	[150.00; 280.00]
Cp,liquid	114.30	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	114.40	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	114.80	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	115.30	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	116.10	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	117.10	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	118.30	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	119.60	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	121.20	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	123.00	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	125.10	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	127.30	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	129.70	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	130.50	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	132.40	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	132.42	J/mol×K	280.00	NIST
ΔfusH	[6.03; 6.03]	kJ/mol	[147.40; 147.43]
ΔfusH	6.03	kJ/mol	147.40	NIST
ΔfusH	6.03	kJ/mol	147.40	NIST
ΔfusH	6.03	kJ/mol	147.43	NIST
ΔfusH	6.03	kJ/mol	147.43	NIST
ΔvapH	[24.50; 26.00]	kJ/mol	[247.00; 281.23]
ΔvapH	26.00	kJ/mol	247.00	NIST
ΔvapH	25.80 ± 0.10	kJ/mol	263.00	NIST
ΔvapH	25.80 ± 0.10	kJ/mol	263.00	NIST
ΔvapH	24.50 ± 0.10	kJ/mol	281.00	NIST
ΔvapH	24.50 ± 0.10	kJ/mol	281.00	NIST
ΔvapH	24.98	kJ/mol	281.20	KDB
ΔvapH	24.52	kJ/mol	281.20	NIST
ΔvapH	24.98	kJ/mol	281.23	Air Liquide Gas Encyclopedia
ΔvapH	24.52	kJ/mol	281.23	NIST
ΔvapH	24.52	kJ/mol	281.23	NIST
ρg	[2.29; 2.30]	kg/m3	[281.23; 288.15]
ρg	2.30	kg/m3	281.23	Air Liquide Gas Encyclopedia
ρg	2.29	kg/m3	288.15	Air Liquide Gas Encyclopedia
ρl	[649.00; 650.00]	kg/m3	[281.23; 289.00]
ρl	649.00	kg/m3	281.23	Air Liquide Gas Encyclopedia
ρl	650.00	kg/m3	289.00	KDB
ΔfusS	[40.89; 40.89]	J/mol×K	[147.43; 147.43]
ΔfusS	40.89	J/mol×K	147.43	NIST
ΔfusS	40.89	J/mol×K	147.43	NIST
γ	0.02	N/m	273.20	KDB
ΔvapS	[87.20; 87.20]	J/mol×K	[281.23; 281.23]
ΔvapS	87.20	J/mol×K	281.23	NIST
ΔvapS	87.20	J/mol×K	281.23	NIST

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[52.81; 192.04]	J/mol×K	[150.00; 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			4.47090e+01
Coefficient B			-4.41890e+02
Coefficient C			4.98124e+00
Coefficient D			3.93710e-04
Coefficient E			-1.26450e-07
Temperature range, min.			150.00
Temperature range, max.			1500.00
Cp,gas	52.81	J/mol×K	150.00	Calculated Property
Cp,gas	81.86	J/mol×K	300.00	Calculated Property
Cp,gas	108.20	J/mol×K	450.00	Calculated Property
Cp,gas	129.10	J/mol×K	600.00	Calculated Property
Cp,gas	145.82	J/mol×K	750.00	Calculated Property
Cp,gas	159.39	J/mol×K	900.00	Calculated Property
Cp,gas	170.47	J/mol×K	1050.00	Calculated Property
Cp,gas	179.45	J/mol×K	1200.00	Calculated Property
Cp,gas	186.59	J/mol×K	1350.00	Calculated Property
Cp,gas	192.04	J/mol×K	1500.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
Cp,liquid	[114.23; 137.35]	J/mol×K	[147.43; 298.15]	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			1.09820e+02
Coefficient B			1.14870e+03
Coefficient C			-1.65148e+01
Coefficient D			8.45480e-02
Coefficient E			-1.03840e-04
Temperature range, min.			147.43
Temperature range, max.			298.15
Cp,liquid	114.23	J/mol×K	147.43	Calculated Property
Cp,liquid	114.60	J/mol×K	164.18	Calculated Property
Cp,liquid	115.47	J/mol×K	180.92	Calculated Property
Cp,liquid	116.86	J/mol×K	197.67	Calculated Property
Cp,liquid	118.82	J/mol×K	214.42	Calculated Property
Cp,liquid	121.41	J/mol×K	231.16	Calculated Property
Cp,liquid	124.66	J/mol×K	247.91	Calculated Property
Cp,liquid	128.52	J/mol×K	264.66	Calculated Property
Cp,liquid	132.84	J/mol×K	281.40	Calculated Property
Cp,liquid	137.35	J/mol×K	298.15	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0013688; 0.0001092]	Pa×s	[147.43; 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			-4.34510e+00
Coefficient B			3.54460e+02
Coefficient C			-9.29210e-01
Coefficient D			-6.02700e-07
Coefficient E			2.00000e+00
Temperature range, min.			147.43
Temperature range, max.			400.00
η	0.0013688	Pa×s	147.43	Calculated Property
η	0.0007883	Pa×s	175.49	Calculated Property
η	0.0005165	Pa×s	203.56	Calculated Property
η	0.0003683	Pa×s	231.62	Calculated Property
η	0.0002783	Pa×s	259.68	Calculated Property
η	0.0002194	Pa×s	287.75	Calculated Property
η	0.0001786	Pa×s	315.81	Calculated Property
η	0.0001489	Pa×s	343.87	Calculated Property
η	0.0001265	Pa×s	371.94	Calculated Property
η	0.0001092	Pa×s	400.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
ΔvapH	[29.89; 0.00]	kJ/mol	[147.43; 440.00]	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			3.60472e+01
Coefficient B			5.46439e-01
Coefficient C			-2.61850e-01
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Critical temperature, Tc (K)			4.40000e+02
Comment			Range stopped at Tc; ChemSep gives it to 463.15 K.
Temperature range, min.			147.43
Temperature range, max.			440.00
ΔvapH	29.89	kJ/mol	147.43	Calculated Property
ΔvapH	28.61	kJ/mol	179.94	Calculated Property
ΔvapH	27.33	kJ/mol	212.45	Calculated Property
ΔvapH	26.02	kJ/mol	244.95	Calculated Property
ΔvapH	24.66	kJ/mol	277.46	Calculated Property
ΔvapH	23.19	kJ/mol	309.97	Calculated Property
ΔvapH	21.51	kJ/mol	342.48	Calculated Property
ΔvapH	19.43	kJ/mol	374.98	Calculated Property
ΔvapH	16.33	kJ/mol	407.49	Calculated Property
ΔvapH	0.00	kJ/mol	440.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
Pvap	[1.33; 202.66]	kPa	[205.17; 300.05]	The Yaws Handbook of Vapor Pressure
Equation			ln(Y) = A + B/(T + C) Y is Pvap in kPa, T in K
Coefficient A			1.44978e+01
Coefficient B			-2.46519e+03
Coefficient C			-3.16930e+01
Temperature range, min.			205.17
Temperature range, max.			300.05
Pvap	1.33	kPa	205.17	Calculated Property
Pvap	3.01	kPa	215.71	Calculated Property
Pvap	6.22	kPa	226.25	Calculated Property
Pvap	11.92	kPa	236.80	Calculated Property
Pvap	21.46	kPa	247.34	Calculated Property
Pvap	36.56	kPa	257.88	Calculated Property
Pvap	59.40	kPa	268.42	Calculated Property
Pvap	92.60	kPa	278.97	Calculated Property
Pvap	139.20	kPa	289.51	Calculated Property
Pvap	202.66	kPa	300.05	Calculated Property
Pvap	[1.18e-03; 4544.14]	kPa	[147.43; 440.00]	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			6.91362e+01
Coefficient B			-5.03159e+03
Coefficient C			-8.40406e+00
Coefficient D			9.68182e-06
Coefficient E			2.00000e+00
Temperature range, min.			147.43
Temperature range, max.			440.00
Pvap	1.18e-03	kPa	147.43	Calculated Property
Pvap	0.12	kPa	179.94	Calculated Property
Pvap	2.35	kPa	212.45	Calculated Property
Pvap	19.01	kPa	244.95	Calculated Property
Pvap	87.24	kPa	277.46	Calculated Property
Pvap	277.07	kPa	309.97	Calculated Property
Pvap	686.94	kPa	342.48	Calculated Property
Pvap	1436.00	kPa	374.98	Calculated Property
Pvap	2664.12	kPa	407.49	Calculated Property
Pvap	4544.14	kPa	440.00	Calculated Property
Pvap	[1.06e-03; 4904.60]	kPa	[147.43; 443.20]	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			8.85412e+01
Coefficient B			-5.68731e+03
Coefficient C			-1.14326e+01
Coefficient D			1.25220e-05
Coefficient E			0.00000e+00
Temperature range, min.			147.43
Temperature range, max.			443.20
Pvap	1.06e-03	kPa	147.43	Calculated Property
Pvap	0.14	kPa	180.29	Calculated Property
Pvap	3.09	kPa	213.16	Calculated Property
Pvap	25.55	kPa	246.02	Calculated Property
Pvap	115.27	kPa	278.88	Calculated Property
Pvap	353.04	kPa	311.75	Calculated Property
Pvap	837.68	kPa	344.61	Calculated Property
Pvap	1674.48	kPa	377.47	Calculated Property
Pvap	2980.25	kPa	410.34	Calculated Property
Pvap	4904.60	kPa	443.20	Calculated Property
Pvap	[0.52; 107.55]	kPa	[194.39; 282.70]	NIST
Equation			ln(Y) = A + B/(T + C) Y is Pvap in kPa, T in K
Coefficient A			1.43686e+01
Coefficient B			-2.41053e+03
Coefficient C			-3.39510e+01
Reference			Aston, Mastrangelo, et al., 1950
Comment			Coefficents calculated by NIST from author's data.
Temperature range, min.			194.39
Temperature range, max.			282.70
Pvap	0.52	kPa	194.39	Calculated Property
Pvap	1.23	kPa	204.20	Calculated Property
Pvap	2.67	kPa	214.01	Calculated Property
Pvap	5.33	kPa	223.83	Calculated Property
Pvap	9.95	kPa	233.64	Calculated Property
Pvap	17.51	kPa	243.45	Calculated Property
Pvap	29.29	kPa	253.26	Calculated Property
Pvap	46.90	kPa	263.08	Calculated Property
Pvap	72.24	kPa	272.89	Calculated Property
Pvap	107.55	kPa	282.70	Calculated Property
Pvap	[0.52; 107.55]	kPa	[194.39; 282.70]	NIST
Equation			ln(Y) = A + B/(T + C) Y is Pvap in kPa, T in K
Coefficient A			1.43686e+01
Coefficient B			-2.41053e+03
Coefficient C			-3.39510e+01
Reference			Aston, Mastrangelo, et al., 1950, 2
Comment			Coefficents calculated by NIST from author's data.
Temperature range, min.			194.39
Temperature range, max.			282.70
Pvap	0.52	kPa	194.39	Calculated Property
Pvap	1.23	kPa	204.20	Calculated Property
Pvap	2.67	kPa	214.01	Calculated Property
Pvap	5.33	kPa	223.83	Calculated Property
Pvap	9.95	kPa	233.64	Calculated Property
Pvap	17.51	kPa	243.45	Calculated Property
Pvap	29.29	kPa	253.26	Calculated Property
Pvap	46.90	kPa	263.08	Calculated Property
Pvap	72.24	kPa	272.89	Calculated Property
Pvap	107.55	kPa	282.70	Calculated Property

Property	Value	Unit	Temperature (K)	Source
ρl	[805.90; 260.44]	kg/m3	[147.43; 440.00]	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			7.27354e+01
Coefficient B			2.79280e-01
Coefficient C			4.40000e+02
Coefficient D			2.97780e-01
Temperature range, min.			147.43
Temperature range, max.			440.00
ρl	805.90	kg/m3	147.43	Calculated Property
ρl	775.13	kg/m3	179.94	Calculated Property
ρl	742.86	kg/m3	212.45	Calculated Property
ρl	708.74	kg/m3	244.95	Calculated Property
ρl	672.22	kg/m3	277.46	Calculated Property
ρl	632.46	kg/m3	309.97	Calculated Property
ρl	588.03	kg/m3	342.48	Calculated Property
ρl	536.01	kg/m3	374.98	Calculated Property
ρl	468.50	kg/m3	407.49	Calculated Property
ρl	260.44	kg/m3	440.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
γ	[0.04; 1.45e-05]	N/m	[147.43; 437.07]	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			-1.82330e-02
Coefficient B			5.83180e+01
Coefficient C			-3.44520e+00
Coefficient D			2.27420e-03
Coefficient E			-8.82540e-06
Comment			Range stopped where the equation turns negative; ChemSep gives it to 440 K.
Temperature range, min.			147.43
Temperature range, max.			437.07
γ	0.04	N/m	147.43	Calculated Property
γ	0.03	N/m	179.61	Calculated Property
γ	0.03	N/m	211.80	Calculated Property
γ	0.02	N/m	243.98	Calculated Property
γ	0.02	N/m	276.16	Calculated Property
γ	0.02	N/m	308.34	Calculated Property
γ	0.01	N/m	340.53	Calculated Property
γ	0.01	N/m	372.71	Calculated Property
γ	0.00	N/m	404.89	Calculated Property
γ	1.45e-05	N/m	437.07	Calculated Property

Property	Value	Unit	Temperature (K)	Source
λgas	[0.00; 0.10]	W/m×K	[147.43; 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			3.68680e-05
Coefficient B			1.14290e+00
Coefficient C			-5.78540e+01
Coefficient D			8.38160e+04
Temperature range, min.			147.43
Temperature range, max.			1000.00
λgas	0.00	W/m×K	147.43	Calculated Property
λgas	0.01	W/m×K	242.16	Calculated Property
λgas	0.02	W/m×K	336.89	Calculated Property
λgas	0.03	W/m×K	431.62	Calculated Property
λgas	0.04	W/m×K	526.35	Calculated Property
λgas	0.05	W/m×K	621.08	Calculated Property
λgas	0.06	W/m×K	715.81	Calculated Property
λgas	0.07	W/m×K	810.54	Calculated Property
λgas	0.09	W/m×K	905.27	Calculated Property
λgas	0.10	W/m×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
λliquid	[0.17; 0.10]	W/m×K	[147.43; 373.15]	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			-3.28450e-02
Coefficient B			1.39560e+01
Coefficient C			-1.58110e+00
Coefficient D			-2.51380e-04
Coefficient E			-2.99650e-06
Temperature range, min.			147.43
Temperature range, max.			373.15
λliquid	0.17	W/m×K	147.43	Calculated Property
λliquid	0.16	W/m×K	172.51	Calculated Property
λliquid	0.15	W/m×K	197.59	Calculated Property
λliquid	0.15	W/m×K	222.67	Calculated Property
λliquid	0.14	W/m×K	247.75	Calculated Property
λliquid	0.13	W/m×K	272.83	Calculated Property
λliquid	0.12	W/m×K	297.91	Calculated Property
λliquid	0.11	W/m×K	322.99	Calculated Property
λliquid	0.10	W/m×K	348.07	Calculated Property
λliquid	0.10	W/m×K	373.15	Calculated Property

Similar Compounds

Find more compounds similar to 1-Butyne.

Sources

• KDB Vapor Pressure Data
• Air Liquide Gas Encyclopedia
• Active Thermochemical Tables 1.112, gas-phase enthalpies of formation ChEDL chemicals 1.5.2, from Active Thermochemical Tables (ATcT), version 1.112, Argonne National Laboratory; Ruscic, B. et al. Active Thermochemical Tables: Thermochemistry for the 21st Century. J. Phys.: Conf. Ser. 2005, 16, 561.
• 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
• Joback Method
• KDB
• Aqueous Solubility Prediction Method
• Estimated Solubility Method
• 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

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.
Calculated This icon marks a calculated value or equation: a prediction, not a measurement.
Compiled This icon marks a compiled value or equation: taken from a data compilation such as ChemSep, not from an original measurement report.
These property values are available through the Cheméo API. A free account gives you an access key.