Chemical Properties of 2-Butyne (CAS 503-17-3)

InChI

InChI=1S/C4H6/c1-3-4-2/h1-2H3

InChI Key

XNMQEEKYCVKGBD-UHFFFAOYSA-N

Formula

C4H6

SMILES

CC#CC

Molecular Weight¹

54.09

CAS

503-17-3

Other Names

• But-2-yne
• CH3C«equiv»CCH3
• CH3C«equiv»CCH3
• CROTONYLENE
• Dimethylacetylene
• UN 1144

• 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).
• 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_subH : Enthalpy of sublimation 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_vap : Vapor pressure (kPa).
• n₀ : Refractive Index.
• 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).
• T_fus : Normal melting (fusion) point (K).
• T_triple : Triple Point Temperature (K).
• 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	0.1305		KDB
PAff	775.80	kJ/mol	NIST
BasG	745.10	kJ/mol	NIST
ΔcH°gas	-2576.70 ± 0.96	kJ/mol	NIST
μ	0.80	debye	KDB
ΔfG°	185.60	kJ/mol	KDB
Δc,grossH	2550.94	kJ/mol	KDB
Δc,netH	2418.896	kJ/mol	KDB
ΔfH°gas	[145.10; 148.00]	kJ/mol
ΔfH°gas	146.40	kJ/mol	KDB
ΔfH°gas	145.10 ± 1.00	kJ/mol	NIST
ΔfH°gas	148.00 ± 1.50	kJ/mol	NIST
ΔfusH°	9.24	kJ/mol	Joback Calculated Property
ΔvapH°	26.70	kJ/mol	NIST
IE	[9.56; 9.79]	eV
IE	9.58 ± 0.02	eV	NIST
IE	9.59 ± 0.02	eV	NIST
IE	9.56 ± 0.01	eV	NIST
IE	9.61	eV	NIST
IE	9.59	eV	NIST
IE	9.56	eV	NIST
IE	Outlier 9.79	eV	NIST
log10WS	-1.29		Crippen Calculated Property
logPoct/wat	1.030		Crippen Calculated Property
McVol	58.620	ml/mol	McGowan Calculated Property
Pc	5080.00	kPa	KDB
Inp	[462.00; 488.00]
Inp	463.00		NIST
Inp	463.00		NIST
Inp	463.00		NIST
Inp	462.00		NIST
Inp	473.00		NIST
Inp	488.00		NIST
Inp	478.00		NIST
Inp	485.00		NIST
Inp	466.00		NIST
Inp	482.00		NIST
Inp	482.00		NIST
S°liquid	195.10	J/mol×K	NIST
Tboil	300.12	K	KDB
Tc	488.70	K	KDB
Tfus	[240.50; 240.90]	K
Tfus	240.79	K	KDB
Tfus	240.82 ± 0.20	K	NIST
Tfus	240.90 ± 0.20	K	NIST
Tfus	240.63 ± 0.30	K	NIST
Tfus	240.83 ± 0.10	K	NIST
Tfus	240.50 ± 0.30	K	NIST
Ttriple	[240.80; 240.93]	K
Ttriple	240.80 ± 0.15	K	NIST
Ttriple	240.93 ± 0.06	K	NIST
Vc	0.221	m3/kmol	KDB
Zc	0.2762980		KDB

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[84.56; 89.66]	J/mol×K	[336.07; 369.46]
Cp,gas	84.56	J/mol×K	336.07	NIST
Cp,gas	89.66	J/mol×K	369.46	NIST
Cp,liquid	124.14	J/mol×K	290.00	NIST
ΔfusH	[9.23; 9.25]	kJ/mol	[240.90; 240.93]
ΔfusH	9.25	kJ/mol	240.90	NIST
ΔfusH	9.25	kJ/mol	240.90	NIST
ΔfusH	9.23	kJ/mol	240.92	NIST
ΔfusH	9.23	kJ/mol	240.93	NIST
ΔsubH	37.40	kJ/mol	219.50	NIST
ΔvapH	[26.65; 29.00]	kJ/mol	[274.00; 300.10]
ΔvapH	29.00	kJ/mol	274.00	NIST
ΔvapH	26.95	kJ/mol	291.00	NIST
ΔvapH	26.95	kJ/mol	291.00	NIST
ΔvapH	26.90 ± 0.30	kJ/mol	291.00	NIST
ΔvapH	26.90 ± 0.10	kJ/mol	291.00	NIST
ΔvapH	26.65	kJ/mol	300.10	KDB
n0	1.38930		298.15	KDB
ρl	691.00	kg/m3	293.00	KDB
ΔfusS	[38.33; 38.35]	J/mol×K	[240.92; 240.93]
ΔfusS	38.35	J/mol×K	240.92	NIST
ΔfusS	38.33	J/mol×K	240.93	NIST
γ	0.02	N/m	298.20	KDB
ΔvapS	[92.59; 92.59]	J/mol×K	[291.00; 291.00]
ΔvapS	92.59	J/mol×K	291.00	NIST
ΔvapS	92.59	J/mol×K	291.00	NIST

Correlations

Property	Value	Unit	Temperature (K)	Source
Pvap	[1.33; 202.68]	kPa	[225.64; 319.22]	The Yaw...
Equation			ln(Pvp) = A + B/(T + C)
Coefficient A			1.36731e+01
Coefficient B			-2.08471e+03
Coefficient C			-6.98960e+01
Temperature range, min.			225.64
Temperature range, max.			319.22
Pvap	1.33	kPa	225.64	Calculated Property
Pvap	3.08	kPa	236.04	Calculated Property
Pvap	6.45	kPa	246.44	Calculated Property
Pvap	12.44	kPa	256.83	Calculated Property
Pvap	22.39	kPa	267.23	Calculated Property
Pvap	38.00	kPa	277.63	Calculated Property
Pvap	61.31	kPa	288.03	Calculated Property
Pvap	94.71	kPa	298.42	Calculated Property
Pvap	140.86	kPa	308.82	Calculated Property
Pvap	202.68	kPa	319.22	Calculated Property
Pvap	[5.80; 5090.63]	kPa	[240.00; 488.15]	KDB Vap...
Equation			ln(Pvp) = A + B/T + C*ln(T) + D*T^2
Coefficient A			4.50165e+01
Coefficient B			-4.55895e+03
Coefficient C			-4.44326e+00
Coefficient D			1.52939e-06
Temperature range, min.			240.00
Temperature range, max.			488.15
Pvap	5.80	kPa	240.00	Calculated Property
Pvap	25.86	kPa	267.57	Calculated Property
Pvap	84.13	kPa	295.14	Calculated Property
Pvap	217.30	kPa	322.72	Calculated Property
Pvap	472.17	kPa	350.29	Calculated Property
Pvap	898.81	kPa	377.86	Calculated Property
Pvap	1543.30	kPa	405.43	Calculated Property
Pvap	2442.34	kPa	433.01	Calculated Property
Pvap	3620.61	kPa	460.58	Calculated Property
Pvap	5090.63	kPa	488.15	Calculated Property

Similar Compounds

Find more compounds similar to 2-Butyne.

Sources

• KDB Vapor Pressure Data
• Crippen Method
• Crippen Method
• Joback Method
• KDB
• McGowan Method
• NIST Webbook
• The Yaws Handbook of Vapor Pressure

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.