Chemical Properties of Butanedioyl dichloride (CAS 543-20-4)

InChI

InChI=1S/C4H4Cl2O2/c5-3(7)1-2-4(6)8/h1-2H2

InChI Key

IRXBNHGNHKNOJI-UHFFFAOYSA-N

Formula

C4H4Cl2O2

SMILES

O=C(Cl)CCC(=O)Cl

Molecular Weight¹

154.98

CAS

543-20-4

Other Names

• 1,2-Bis(Chlorocarbonyl)ethane
• Succinic acid dichloride
• Succinic chloride
• Succinoyl chloride
• Succinoyl dichloride
• Succinyl chloride
• Succinyl dichloride

• 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).
• Δ_vapH : Enthalpy of vaporization at a given temperature (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	0.4526		Relay (1.0) Calculated Property
ΔfG°	-298.90	kJ/mol	Joback Calculated Property
ΔfH°gas	-415.50	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	17.71	kJ/mol	Joback Calculated Property
ΔvapH°	48.34	kJ/mol	Relay (1.0) Calculated Property
IE	10.40	eV	Relay (1.0) Calculated Property
logPoct/wat	1.297		Crippen Calculated Property
McVol	94.840	ml/mol	McGowan Calculated Property
Pc	4162.33	kPa	Joback Calculated Property
Tboil	[463.00; 466.50]	K
Tboil	463.20	K	NIST
Tboil	466.50	K	NIST
Tboil	463.00 ± 2.00	K	NIST
Tc	638.65	K	Relay (1.0) Calculated Property
Tfus	289.90 ± 0.60	K	NIST
Vc	0.341	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.

Temperature Dependent Properties

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[119.00; 220.27]	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			3.97520e+01
Coefficient B			3.41400e-01
Coefficient C			-1.97200e-04
Coefficient D			3.63200e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	119.00	J/mol×K	273.00	Calculated Property
Cp,gas	137.46	J/mol×K	353.78	Calculated Property
Cp,gas	153.85	J/mol×K	434.56	Calculated Property
Cp,gas	168.29	J/mol×K	515.33	Calculated Property
Cp,gas	180.88	J/mol×K	596.11	Calculated Property
Cp,gas	191.75	J/mol×K	676.89	Calculated Property
Cp,gas	201.01	J/mol×K	757.67	Calculated Property
Cp,gas	208.78	J/mol×K	838.44	Calculated Property
Cp,gas	215.16	J/mol×K	919.22	Calculated Property
Cp,gas	220.27	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0035733; 0.0004572]	Pa×s	[289.90; 476.50]	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			-1.08847e+01
Coefficient B			1.52210e+03
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.			289.90
Temperature range, max.			476.50
η	0.0035733	Pa×s	289.90	Calculated Property
η	0.0025169	Pa×s	310.63	Calculated Property
η	0.0018523	Pa×s	331.37	Calculated Property
η	0.0014133	Pa×s	352.10	Calculated Property
η	0.0011113	Pa×s	372.83	Calculated Property
η	0.0008963	Pa×s	393.57	Calculated Property
η	0.0007386	Pa×s	414.30	Calculated Property
η	0.0006199	Pa×s	435.04	Calculated Property
η	0.0005287	Pa×s	455.77	Calculated Property
η	0.0004572	Pa×s	476.50	Calculated Property

Property	Value	Unit	Temperature (K)	Source
Pvap	[0.16; 202.63]	kPa	[312.00; 521.88]	The Yaws Handbook of Vapor Pressure
Equation			ln(Y) = A + B/(T + C) Y is Pvap in kPa, T in K
Coefficient A			1.43917e+01
Coefficient B			-4.33122e+03
Coefficient C			-4.48900e+01
Temperature range, min.			312.00
Temperature range, max.			521.88
Pvap	0.16	kPa	312.00	Calculated Property
Pvap	0.59	kPa	335.32	Calculated Property
Pvap	1.80	kPa	358.64	Calculated Property
Pvap	4.67	kPa	381.96	Calculated Property
Pvap	10.74	kPa	405.28	Calculated Property
Pvap	22.29	kPa	428.60	Calculated Property
Pvap	42.55	kPa	451.92	Calculated Property
Pvap	75.74	kPa	475.24	Calculated Property
Pvap	127.06	kPa	498.56	Calculated Property
Pvap	202.63	kPa	521.88	Calculated Property
Pvap	[0.13; 101.88]	kPa	[312.00; 465.70]	NIST
Equation			ln(Y) = A + B/(T + C) Y is Pvap in kPa, T in K
Coefficient A			1.65392e+01
Coefficient B			-5.11563e+03
Coefficient C			-3.63700e+01
Reference			Stull, 1947
Comment			Coefficents calculated by NIST from author's data.
Temperature range, min.			312.00
Temperature range, max.			465.70
Pvap	0.13	kPa	312.00	Calculated Property
Pvap	0.39	kPa	329.08	Calculated Property
Pvap	1.03	kPa	346.16	Calculated Property
Pvap	2.43	kPa	363.23	Calculated Property
Pvap	5.29	kPa	380.31	Calculated Property
Pvap	10.69	kPa	397.39	Calculated Property
Pvap	20.27	kPa	414.47	Calculated Property
Pvap	36.38	kPa	431.54	Calculated Property
Pvap	62.19	kPa	448.62	Calculated Property
Pvap	101.88	kPa	465.70	Calculated Property

Similar Compounds

Find more compounds similar to Butanedioyl dichloride.

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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