Chemical Properties of 3-chloro-3-methyl-1-butyne (CAS 1111-97-3)

InChI

InChI=1S/C5H7Cl/c1-4-5(2,3)6/h1H,2-3H3

InChI Key

QSILYWCNPOLKPN-UHFFFAOYSA-N

Formula

C5H7Cl

SMILES

C#CC(C)(C)Cl

Molecular Weight¹

102.56

CAS

1111-97-3

• ω : Acentric Factor.
• C_p,gas : Ideal gas heat capacity (J/mol×K).
• Δ_fG° : Standard Gibbs free energy of formation (kJ/mol).
• Δ_fH°_gas : 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).
• 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).
• T_boil : Normal Boiling Point Temperature (K).
• T_c : Critical Temperature (K).
• T_fus : Normal melting (fusion) point (K).
• V_c : Critical Volume (m³/kmol).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[131.35; 175.46]	J/mol×K	[338.12; 536.84]
Cp,gas	131.35	J/mol×K	338.12	Joback Calculated Property
Cp,gas	140.09	J/mol×K	371.24	Joback Calculated Property
Cp,gas	148.23	J/mol×K	404.36	Joback Calculated Property
Cp,gas	155.80	J/mol×K	437.48	Joback Calculated Property
Cp,gas	162.84	J/mol×K	470.60	Joback Calculated Property
Cp,gas	169.39	J/mol×K	503.72	Joback Calculated Property
Cp,gas	175.46	J/mol×K	536.84	Joback Calculated Property

Correlations

Property	Value	Unit	Temperature (K)	Source
Pvap	[1.33; 202.65]	kPa	[260.32; 443.77]	The Yaws Handbook of Vapor Pressure
Equation			ln(Pvp) = A + B/(T + C)
Coefficient A			1.13940e+01
Coefficient B			-2.46679e+03
Coefficient C			-3.82140e+01
Temperature range, min.			260.32
Temperature range, max.			443.77
Pvap	1.33	kPa	260.32	Calculated Property
Pvap	3.39	kPa	280.70	Calculated Property
Pvap	7.46	kPa	301.09	Calculated Property
Pvap	14.66	kPa	321.47	Calculated Property
Pvap	26.31	kPa	341.85	Calculated Property
Pvap	43.86	kPa	362.24	Calculated Property
Pvap	68.82	kPa	382.62	Calculated Property
Pvap	102.69	kPa	403.00	Calculated Property
Pvap	146.88	kPa	423.39	Calculated Property
Pvap	202.65	kPa	443.77	Calculated Property

Similar Compounds

Find more compounds similar to 3-chloro-3-methyl-1-butyne.

Sources

• Cheméo Relay (1.0)
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• The Yaws Handbook of Vapor Pressure

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