Chemical Properties of 1-Butene, 3-chloro-2-methyl- (CAS 5166-35-8)

InChI

InChI=1S/C5H9Cl/c1-4(2)5(3)6/h5H,1H2,2-3H3

InChI Key

UCUDJURUNUQAHQ-UHFFFAOYSA-N

Formula

C5H9Cl

SMILES

C=C(C)C(C)Cl

Molecular Weight¹

104.58

CAS

5166-35-8

Other Names

• 3-Chloro-2-methyl-1-butene

• 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_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°	56.14	kJ/mol	Joback Calculated Property
ΔfH°gas	-51.91	kJ/mol	Joback Calculated Property
ΔfusH°	6.79	kJ/mol	Joback Calculated Property
ΔvapH°	30.13	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	3543.08	kPa	Joback Calculated Property
Inp	[657.00; 710.00]
Inp	657.00		NIST
Inp	660.00		NIST
Inp	691.00		NIST
Inp	710.00		NIST
Inp	691.00		NIST
Inp	657.00		NIST
Tboil	347.35	K	Joback Calculated Property
Tc	531.71	K	Joback Calculated Property
Tfus	145.31	K	Joback Calculated Property
Vc	0.341	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[137.98; 185.00]	J/mol×K	[347.35; 531.71]
Cp,gas	137.98	J/mol×K	347.35	Joback Calculated Property
Cp,gas	146.76	J/mol×K	378.08	Joback Calculated Property
Cp,gas	155.15	J/mol×K	408.80	Joback Calculated Property
Cp,gas	163.16	J/mol×K	439.53	Joback Calculated Property
Cp,gas	170.79	J/mol×K	470.26	Joback Calculated Property
Cp,gas	178.07	J/mol×K	500.99	Joback Calculated Property
Cp,gas	185.00	J/mol×K	531.71	Joback Calculated Property

Correlations

Property	Value	Unit	Temperature (K)	Source
Pvap	[1.33; 202.66]	kPa	[271.56; 403.61]	The Yaw...
Equation			ln(Pvp) = A + B/(T + C)
Coefficient A			1.40010e+01
Coefficient B			-3.13211e+03
Coefficient C			-4.31620e+01
Temperature range, min.			271.56
Temperature range, max.			403.61
Pvap	1.33	kPa	271.56	Calculated Property
Pvap	3.05	kPa	286.23	Calculated Property
Pvap	6.35	kPa	300.90	Calculated Property
Pvap	12.22	kPa	315.58	Calculated Property
Pvap	22.00	kPa	330.25	Calculated Property
Pvap	37.39	kPa	344.92	Calculated Property
Pvap	60.51	kPa	359.59	Calculated Property
Pvap	93.82	kPa	374.27	Calculated Property
Pvap	140.16	kPa	388.94	Calculated Property
Pvap	202.66	kPa	403.61	Calculated Property

Similar Compounds

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

Sources

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

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