Chemical Properties of 1-Butene, 1-chloro-, (Z)- (CAS 7611-86-1)

InChI

InChI=1S/C4H7Cl/c1-2-3-4-5/h3-4H,2H2,1H3/b4-3-

InChI Key

DUDKKPVINWLFBI-ARJAWSKDSA-N

Formula

C4H7Cl

SMILES

CCC=CCl

Molecular Weight¹

90.55

CAS

7611-86-1

Other Names

• (1Z)-1-Chloro-1-butene
• (Z)-1-Chloro-1-butene
• (Z)-1-Chlorobut-1-ene
• cis-1-Chloro-1-butene

• ω : Acentric Factor.
• 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).
• IE : Ionization energy (eV).
• 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
ω	0.2057		Relay (1.0) Calculated Property
ΔfG°	51.09	kJ/mol	Joback Calculated Property
ΔfH°gas	-19.20	kJ/mol	NIST
ΔfusH°	10.51	kJ/mol	Joback Calculated Property
ΔvapH°	28.51	kJ/mol	Relay (1.0) Calculated Property
IE	9.49	eV	Relay (1.0) Calculated Property
logPoct/wat	2.149		Crippen Calculated Property
McVol	75.160	ml/mol	McGowan Calculated Property
Pc	3970.51	kPa	Joback Calculated Property
Tboil	[336.65; 336.70]	K
Tboil	336.70	K	NIST
Tboil	336.65 ± 1.00	K	NIST
Tboil	336.65 ± 1.00	K	NIST
Tc	513.99	K	Relay (1.0) Calculated Property
Tfus	140.66	K	Relay (1.0) Calculated Property
Vc	0.280	m3/kmol	Relay (1.0) Calculated Property

Cheméo can also estimate Log10 of Water solubility in mol/l for this compound, but it falls outside the models' validated range, so it is not shown here. Open the prediction tool to compute it on demand.

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[89.74; 203.38]	J/mol×K	[273.00; 1000.00]	Joback Predicted correlation
Equation			Y = A + B·T + C·T² + D·T³ + E·T⁴ Y is Cp,gas in J/mol×K, T in K
Coefficient A			-2.03900e+00
Coefficient B			4.10620e-01
Coefficient C			-2.98000e-04
Coefficient D			9.28000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	89.74	J/mol×K	273.00	Calculated Property
Cp,gas	110.04	J/mol×K	353.78	Calculated Property
Cp,gas	127.74	J/mol×K	434.56	Calculated Property
Cp,gas	143.13	J/mol×K	515.33	Calculated Property
Cp,gas	156.50	J/mol×K	596.11	Calculated Property
Cp,gas	168.15	J/mol×K	676.89	Calculated Property
Cp,gas	178.37	J/mol×K	757.67	Calculated Property
Cp,gas	187.45	J/mol×K	838.44	Calculated Property
Cp,gas	195.69	J/mol×K	919.22	Calculated Property
Cp,gas	203.38	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0033962; 0.0001847]	Pa×s	[159.68; 360.48]	Joback Predicted correlation
Equation			Y = exp(A + B/T + C·ln(T) + D·T^E) Y is η in Pa×s, T in K
Coefficient A			-1.09121e+01
Coefficient B			8.34640e+02
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Comment			Liquid phase. Joback/Reid (1987), valid from Tf to 0.7·Tc.
Temperature range, min.			159.68
Temperature range, max.			360.48
η	0.0033962	Pa×s	159.68	Calculated Property
η	0.0017893	Pa×s	181.99	Calculated Property
η	0.0010844	Pa×s	204.30	Calculated Property
η	0.0007253	Pa×s	226.61	Calculated Property
η	0.0005214	Pa×s	248.93	Calculated Property
η	0.0003957	Pa×s	271.24	Calculated Property
η	0.0003132	Pa×s	293.55	Calculated Property
η	0.0002562	Pa×s	315.86	Calculated Property
η	0.0002152	Pa×s	338.17	Calculated Property
η	0.0001847	Pa×s	360.48	Calculated Property

Property	Value	Unit	Temperature (K)	Source
Pvap	[1.33; 202.68]	kPa	[252.08; 358.70]	The Yaws Handbook of Vapor Pressure
Equation			ln(Y) = A + B/(T + C) Y is Pvap in kPa, T in K
Coefficient A			1.33615e+01
Coefficient B			-2.23340e+03
Coefficient C			-8.12550e+01
Temperature range, min.			252.08
Temperature range, max.			358.70
Pvap	1.33	kPa	252.08	Calculated Property
Pvap	3.11	kPa	263.93	Calculated Property
Pvap	6.55	kPa	275.77	Calculated Property
Pvap	12.67	kPa	287.62	Calculated Property
Pvap	22.79	kPa	299.47	Calculated Property
Pvap	38.61	kPa	311.31	Calculated Property
Pvap	62.11	kPa	323.16	Calculated Property
Pvap	95.58	kPa	335.01	Calculated Property
Pvap	141.54	kPa	346.85	Calculated Property
Pvap	202.68	kPa	358.70	Calculated Property

Similar Compounds

Find more compounds similar to 1-Butene, 1-chloro-, (Z)-.

Sources

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

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