Chemical Properties of 3-Methyl-3-chloro-1-butene (CAS 2190-48-9)

InChI

InChI=1S/C5H9Cl/c1-4-5(2,3)6/h4H,1H2,2-3H3

InChI Key

KECJPTAJLDCQHM-UHFFFAOYSA-N

Formula

C5H9Cl

SMILES

C=CC(C)(C)Cl

Molecular Weight¹

104.58

CAS

2190-48-9

Other Names

• 3-Chloro-3-methyl-1-butene

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• η : Dynamic viscosity (Pa×s).
• 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_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°	69.97	kJ/mol	Joback Calculated Property
ΔfH°gas	-45.59	kJ/mol	Joback Calculated Property
ΔfusH°	4.21	kJ/mol	Joback Calculated Property
ΔvapH°	29.14	kJ/mol	Joback Calculated Property
log10WS	-2.03		Crippen Calculated Property
logPoct/wat	2.190		Crippen Calculated Property
McVol	89.250	ml/mol	McGowan Calculated Property
Pc	3568.53	kPa	Joback Calculated Property
Inp	[642.00; 642.00]
Inp	642.00		NIST
Inp	642.00		NIST
Tboil	344.68	K	Joback Calculated Property
Tc	533.30	K	Joback Calculated Property
Tfus	176.69	K	Joback Calculated Property
Vc	0.335	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[138.59; 189.65]	J/mol×K	[344.68; 533.30]
Cp,gas	138.59	J/mol×K	344.68	Joback Calculated Property
Cp,gas	148.48	J/mol×K	376.12	Joback Calculated Property
Cp,gas	157.78	J/mol×K	407.55	Joback Calculated Property
Cp,gas	166.52	J/mol×K	438.99	Joback Calculated Property
Cp,gas	174.73	J/mol×K	470.42	Joback Calculated Property
Cp,gas	182.43	J/mol×K	501.86	Joback Calculated Property
Cp,gas	189.65	J/mol×K	533.30	Joback Calculated Property
η	[0.0003336; 0.0074890]	Pa×s	[176.69; 344.68]
η	0.0074890	Pa×s	176.69	Joback Calculated Property
η	0.0031275	Pa×s	204.69	Joback Calculated Property
η	0.0016115	Pa×s	232.69	Joback Calculated Property
η	0.0009575	Pa×s	260.69	Joback Calculated Property
η	0.0006293	Pa×s	288.68	Joback Calculated Property
η	0.0004455	Pa×s	316.68	Joback Calculated Property
η	0.0003336	Pa×s	344.68	Joback Calculated Property

Correlations

Property	Value	Unit	Temperature (K)	Source
Pvap	[1.33; 202.63]	kPa	[260.52; 408.05]	The Yaw...
Equation			ln(Pvp) = A + B/(T + C)
Coefficient A			1.28437e+01
Coefficient B			-2.77734e+03
Coefficient C			-3.93260e+01
Temperature range, min.			260.52
Temperature range, max.			408.05
Pvap	1.33	kPa	260.52	Calculated Property
Pvap	3.17	kPa	276.91	Calculated Property
Pvap	6.74	kPa	293.30	Calculated Property
Pvap	13.08	kPa	309.70	Calculated Property
Pvap	23.54	kPa	326.09	Calculated Property
Pvap	39.74	kPa	342.48	Calculated Property
Pvap	63.57	kPa	358.87	Calculated Property
Pvap	97.16	kPa	375.27	Calculated Property
Pvap	142.73	kPa	391.66	Calculated Property
Pvap	202.63	kPa	408.05	Calculated Property

Similar Compounds

Find more compounds similar to 3-Methyl-3-chloro-1-butene.

Sources

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

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