Chemical Properties of 2-Butene, 1-chloro-3-methyl- (CAS 503-60-6)

InChI

InChI=1S/C5H9Cl/c1-5(2)3-4-6/h3H,4H2,1-2H3

InChI Key

JKXQKGNGJVZKFA-UHFFFAOYSA-N

Formula

C5H9Cl

SMILES

CC(C)=CCCl

Molecular Weight¹

104.58

CAS

503-60-6

Other Names

• 1-Chloro-3-methyl-2-butene
• 1-chloro-3-methylbut-2-ene
• 3,3-Dimethylallyl chloride
• 3-Methyl-2-butenyl chloride
• 3-Methylcrotyl chloride
• Isoprenyl chloride
• Prenyl chloride
• «gamma»,«gamma»-Dimethylallyl chloride
• «gamma»,«gamma»-Dimethylallyl chloride

• 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).
• 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).
• I_np : Non-polar retention indices.
• T_boil : Normal Boiling Point Temperature (K).
• T_boilr : Boiling point at reduced pressure (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

Property	Value	Unit	Source
ΔfG°	50.96	kJ/mol	Joback Calculated Property
ΔfH°gas	-54.84	kJ/mol	Joback Calculated Property
ΔfusH°	11.79	kJ/mol	Joback Calculated Property
ΔvapH°	31.15	kJ/mol	Joback Calculated Property
log10WS	-1.92		Crippen Calculated Property
logPoct/wat	2.191		Crippen Calculated Property
McVol	89.250	ml/mol	McGowan Calculated Property
Pc	3551.53	kPa	Joback Calculated Property
Inp	[724.00; 760.00]
Inp	751.00		NIST
Inp	724.00		NIST
Inp	726.00		NIST
Inp	760.00		NIST
Inp	751.00		NIST
Inp	760.00		NIST
Tboil	382.20	K	NIST
Tc	541.10	K	Joback Calculated Property
Tfus	156.99	K	Joback Calculated Property
Vc	0.345	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[136.97; 183.93]	J/mol×K	[355.27; 541.10]
Cp,gas	136.97	J/mol×K	355.27	Joback Calculated Property
Cp,gas	145.84	J/mol×K	386.24	Joback Calculated Property
Cp,gas	154.27	J/mol×K	417.21	Joback Calculated Property
Cp,gas	162.28	J/mol×K	448.19	Joback Calculated Property
Cp,gas	169.87	J/mol×K	479.16	Joback Calculated Property
Cp,gas	177.09	J/mol×K	510.13	Joback Calculated Property
Cp,gas	183.93	J/mol×K	541.10	Joback Calculated Property

Pressure Dependent Properties

Correlations

Property	Value	Unit	Temperature (K)	Source
Pvap	[1.33; 202.64]	kPa	[284.52; 405.84]	The Yaw...
Equation			ln(Pvp) = A + B/(T + C)
Coefficient A			1.51195e+01
Coefficient B			-3.51300e+03
Coefficient C			-4.76660e+01
Temperature range, min.			284.52
Temperature range, max.			405.84
Pvap	1.33	kPa	284.52	Calculated Property
Pvap	2.96	kPa	298.00	Calculated Property
Pvap	6.07	kPa	311.48	Calculated Property
Pvap	11.60	kPa	324.96	Calculated Property
Pvap	20.86	kPa	338.44	Calculated Property
Pvap	35.63	kPa	351.92	Calculated Property
Pvap	58.15	kPa	365.40	Calculated Property
Pvap	91.20	kPa	378.88	Calculated Property
Pvap	138.08	kPa	392.36	Calculated Property
Pvap	202.64	kPa	405.84	Calculated Property

Similar Compounds

Find more compounds similar to 2-Butene, 1-chloro-3-methyl-.

Sources

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

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