Chemical Properties of 2-Butene, 1,4-dichloro-, (E)- (CAS 110-57-6)

InChI

InChI=1S/C4H6Cl2/c5-3-1-2-4-6/h1-2H,3-4H2/b2-1+

InChI Key

FQDIANVAWVHZIR-OWOJBTEDSA-N

Formula

C4H6Cl2

SMILES

ClCC=CCCl

Molecular Weight¹

125.00

CAS

110-57-6

Other Names

• (E)-1,4-dichloro-2-butene
• 1,4-Dichloro-(E)-2-butene
• 1,4-Dichloro-2-butene, trans
• 1,4-Dichloro-trans-2-butene
• 1,4-Dichlorobutene-2, (E)-
• 2-Butene, 1,4-dichloro-, trans-
• trans-1,4-dichloro-2-butene
• trans-2,3-dichlorobut-2-ene

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• η : Dynamic viscosity (Pa×s).
• 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).
• Δ_vapH : Enthalpy of vaporization at a given temperature (kJ/mol).
• IE : Ionization energy (eV).
• log₁₀WS : Log10 of Water solubility in mol/l.
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• 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).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔfH°gas	-105.01	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	14.71	kJ/mol	Joback Calculated Property
ΔvapH°	45.96	kJ/mol	Relay (1.0) Calculated Property
IE	9.63	eV	Relay (1.0) Calculated Property
log10WS	-2.50		Relay (1.0) Calculated Property
logPoct/wat	2.020		Crippen Calculated Property
McVol	87.400	ml/mol	McGowan Calculated Property
Inp	[930.00; 930.00]
Inp	930.00		NIST
Inp	930.00		NIST
Tboil	420.60	K	Relay (1.0) Calculated Property
Tc	614.52	K	Relay (1.0) Calculated Property
Tfus	245.16	K	Relay (1.0) Calculated Property

Cheméo can also estimate Critical Pressure, Critical Volume, Standard Gibbs free energy of formation, Acentric Factor for this compound, but they fall outside the models' validated range, so they are not shown here. Open the prediction tool to compute them on demand.

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[126.89; 162.95]	J/mol×K	[370.14; 562.11]
Cp,gas	126.89	J/mol×K	370.14	Joback Calculated Property
Cp,gas	133.83	J/mol×K	402.14	Joback Calculated Property
Cp,gas	140.38	J/mol×K	434.13	Joback Calculated Property
Cp,gas	146.54	J/mol×K	466.13	Joback Calculated Property
Cp,gas	152.35	J/mol×K	498.12	Joback Calculated Property
Cp,gas	157.81	J/mol×K	530.12	Joback Calculated Property
Cp,gas	162.95	J/mol×K	562.11	Joback Calculated Property
η	[0.0002842; 0.0037801]	Pa×s	[189.60; 370.14]
η	0.0037801	Pa×s	189.60	Joback Calculated Property
η	0.0018277	Pa×s	219.69	Joback Calculated Property
η	0.0010528	Pa×s	249.78	Joback Calculated Property
η	0.0006828	Pa×s	279.87	Joback Calculated Property
η	0.0004817	Pa×s	309.96	Joback Calculated Property
η	0.0003614	Pa×s	340.05	Joback Calculated Property
η	0.0002842	Pa×s	370.14	Joback Calculated Property
ΔvapH	45.60	kJ/mol	359.50	NIST

Pressure Dependent Properties

Correlations

Property	Value	Unit	Temperature (K)	Source
Pvap	[1.33; 202.65]	kPa	[322.41; 405.88]	The Yaws Handbook of Vapor Pressure
Equation			ln(Pvp) = A + B/(T + C)
Coefficient A			2.10757e+01
Coefficient B			-5.44488e+03
Coefficient C			-6.04840e+01
Temperature range, min.			322.41
Temperature range, max.			405.88
Pvap	1.33	kPa	322.41	Calculated Property
Pvap	2.71	kPa	331.68	Calculated Property
Pvap	5.27	kPa	340.96	Calculated Property
Pvap	9.82	kPa	350.23	Calculated Property
Pvap	17.58	kPa	359.51	Calculated Property
Pvap	30.40	kPa	368.78	Calculated Property
Pvap	50.92	kPa	378.06	Calculated Property
Pvap	82.83	kPa	387.33	Calculated Property
Pvap	131.17	kPa	396.61	Calculated Property
Pvap	202.65	kPa	405.88	Calculated Property
Pvap	[0.09; 3743.66]	kPa	[274.15; 646.00]	KDB Vapor Pressure Data
Equation			ln(Pvp) = A + B/T + C*ln(T) + D*T^2
Coefficient A			7.73019e+01
Coefficient B			-8.04515e+03
Coefficient C			-9.03839e+00
Coefficient D			4.46988e-06
Temperature range, min.			274.15
Temperature range, max.			646.00
Pvap	0.09	kPa	274.15	Calculated Property
Pvap	1.27	kPa	315.47	Calculated Property
Pvap	9.04	kPa	356.78	Calculated Property
Pvap	40.09	kPa	398.10	Calculated Property
Pvap	128.20	kPa	439.42	Calculated Property
Pvap	325.33	kPa	480.73	Calculated Property
Pvap	698.74	kPa	522.05	Calculated Property
Pvap	1328.10	kPa	563.37	Calculated Property
Pvap	2306.05	kPa	604.68	Calculated Property
Pvap	3743.66	kPa	646.00	Calculated Property

Similar Compounds

Find more compounds similar to 2-Butene, 1,4-dichloro-, (E)-.

Mixtures

• 2-Butene, 1,4-dichloro-, (E)- + Water

Sources

• KDB Vapor Pressure Data
• Cheméo Relay (1.0)
• Cheméo Relay (1.0, beta) Beta: served but experimental, data-limited and below our cross-validation release bar; the Joback value is recommended where available.
• Crippen Method
• Crippen Method
• Determination of Henry's Law Constants Using Internal Standards with Benchmark Values
• Joback Method
• KDB
• McGowan Method
• NIST Webbook
• The Yaws Handbook of Vapor Pressure

Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more. Take the time to validate and double check the source of the data.
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