Chemical Properties of 2-Butene, 1-chloro- (CAS 591-97-9)

InChI

InChI=1S/C4H7Cl/c1-2-3-4-5/h2-3H,4H2,1H3

InChI Key

YTKRILODNOEEPX-UHFFFAOYSA-N

Formula

C4H7Cl

SMILES

CC=CCCl

Molecular Weight¹

90.55

CAS

591-97-9

Other Names

• 1-Chloro-2-butene
• 1-chlorobut-2-ene
• 2-Butenyl chloride
• Crotyl chloride
• «alpha»-Chloro-«beta»-butylene
• «gamma»-Methallyl chloride
• «gamma»-Methylallyl chloride
• «alpha»-Chloro-«beta»-butylene
• «gamma»-Methallyl chloride
• «gamma»-Methylallyl chloride

• 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).
• 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°	51.09	kJ/mol	Joback Calculated Property
ΔfH°gas	-49.37	kJ/mol	NIST
ΔfusH°	10.51	kJ/mol	Joback Calculated Property
ΔvapH°	28.84	kJ/mol	Joback Calculated Property
log10WS	-1.50		Crippen Calculated Property
logPoct/wat	1.801		Crippen Calculated Property
McVol	75.160	ml/mol	McGowan Calculated Property
Pc	3970.51	kPa	Joback Calculated Property
Tboil	[356.15; 357.40]	K
Tboil	357.40 ± 1.00	K	NIST
Tboil	357.15 ± 2.00	K	NIST
Tboil	357.15 ± 2.00	K	NIST
Tboil	357.15 ± 2.00	K	NIST
Tboil	356.15 ± 2.00	K	NIST
Tc	514.66	K	Joback Calculated Property
Tfus	159.68	K	Joback Calculated Property
Vc	0.288	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[104.96; 143.01]	J/mol×K	[332.51; 514.66]
Cp,gas	104.96	J/mol×K	332.51	Joback Calculated Property
Cp,gas	112.16	J/mol×K	362.87	Joback Calculated Property
Cp,gas	118.99	J/mol×K	393.23	Joback Calculated Property
Cp,gas	125.48	J/mol×K	423.59	Joback Calculated Property
Cp,gas	131.63	J/mol×K	453.95	Joback Calculated Property
Cp,gas	137.47	J/mol×K	484.30	Joback Calculated Property
Cp,gas	143.01	J/mol×K	514.66	Joback Calculated Property
η	[0.0002244; 0.0033962]	Pa×s	[159.68; 332.51]
η	0.0033962	Pa×s	159.68	Joback Calculated Property
η	0.0015278	Pa×s	188.49	Joback Calculated Property
η	0.0008494	Pa×s	217.29	Joback Calculated Property
η	0.0005418	Pa×s	246.09	Joback Calculated Property
η	0.0003798	Pa×s	274.90	Joback Calculated Property
η	0.0002848	Pa×s	303.70	Joback Calculated Property
η	0.0002244	Pa×s	332.51	Joback Calculated Property

Correlations

Property	Value	Unit	Temperature (K)	Source
Pvap	[1.33; 202.67]	kPa	[262.72; 380.54]	The Yaw...
Equation			ln(Pvp) = A + B/(T + C)
Coefficient A			1.48493e+01
Coefficient B			-3.25704e+03
Coefficient C			-3.90480e+01
Temperature range, min.			262.72
Temperature range, max.			380.54
Pvap	1.33	kPa	262.72	Calculated Property
Pvap	2.98	kPa	275.81	Calculated Property
Pvap	6.13	kPa	288.90	Calculated Property
Pvap	11.73	kPa	301.99	Calculated Property
Pvap	21.11	kPa	315.08	Calculated Property
Pvap	36.02	kPa	328.18	Calculated Property
Pvap	58.68	kPa	341.27	Calculated Property
Pvap	91.80	kPa	354.36	Calculated Property
Pvap	138.57	kPa	367.45	Calculated Property
Pvap	202.67	kPa	380.54	Calculated Property

Similar Compounds

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

Sources

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

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