Chemical Properties of 1,3-Benzenedicarbonyl dichloride (CAS 99-63-8)

InChI

InChI=1S/C8H4Cl2O2/c9-7(11)5-2-1-3-6(4-5)8(10)12/h1-4H

InChI Key

FDQSRULYDNDXQB-UHFFFAOYSA-N

Formula

C8H4Cl2O2

SMILES

O=C(Cl)c1cccc(C(=O)Cl)c1

Molecular Weight¹

203.02

CAS

99-63-8

Other Names

• 1,3-Benzenedicarbonyl chloride
• 1,3-Bis(chlorocarbonyl)benzene
• Dichlorid kyseliny isoftalove
• Isophthalic acid chloride
• Isophthalic acid dichloride
• Isophthalic chloride
• Isophthaloyl chloride
• Isophthaloyl dichloride
• Isophthalyl chloride
• Isophthalyl dichloride
• Isothaloyl chloride
• NSC 41884
• m-Benzenedicarbonyl chloride
• m-Phthalic dichloride
• m-Phthaloyl chloride
• m-Phthaloyl dichloride
• m-Phthalyl chloride
• m-Phthalyl dichloride

• ω : Acentric Factor.
• Δ_cH°_solid : Standard solid enthalpy of combustion (kJ/mol).
• 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_fH°_solid : Solid phase 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_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	0.5436		Relay (1.0) Calculated Property
ΔcH°solid	[-3400.00; -3397.70]	kJ/mol
ΔcH°solid	-3397.70 ± 2.00	kJ/mol	NIST
ΔcH°solid	-3400.00 ± 3.00	kJ/mol	NIST
ΔfG°	-162.44	kJ/mol	Joback Calculated Property
ΔfH°gas	-290.42	kJ/mol	Relay (1.0) Calculated Property
ΔfH°solid	[-365.00; -322.00]	kJ/mol
ΔfH°solid	-322.00 ± 2.00	kJ/mol	NIST
ΔfH°solid	-365.00	kJ/mol	NIST
ΔfusH°	21.72	kJ/mol	Joback Calculated Property
ΔvapH°	70.49	kJ/mol	Relay (1.0) Calculated Property
IE	9.84	eV	Relay (1.0) Calculated Property
log10WS	-3.41		Relay (1.0) Calculated Property
logPoct/wat	2.445		Crippen Calculated Property
McVol	127.440	ml/mol	McGowan Calculated Property
Pc	3819.82	kPa	Joback Calculated Property
Tboil	549.20	K	NIST
Tc	778.52	K	Relay (1.0) Calculated Property
Tfus	335.87	K	Relay (1.0) Calculated Property
Vc	0.460	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[149.15; 305.07]	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			1.65100e+01
Coefficient B			5.83000e-01
Coefficient C			-3.78960e-04
Coefficient D			8.45200e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	149.15	J/mol×K	273.00	Calculated Property
Cp,gas	179.07	J/mol×K	353.78	Calculated Property
Cp,gas	205.23	J/mol×K	434.56	Calculated Property
Cp,gas	227.88	J/mol×K	515.33	Calculated Property
Cp,gas	247.28	J/mol×K	596.11	Calculated Property
Cp,gas	263.72	J/mol×K	676.89	Calculated Property
Cp,gas	277.45	J/mol×K	757.67	Calculated Property
Cp,gas	288.74	J/mol×K	838.44	Calculated Property
Cp,gas	297.85	J/mol×K	919.22	Calculated Property
Cp,gas	305.07	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0019653; 0.0003366]	Pa×s	[378.56; 587.03]	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			-1.12007e+01
Coefficient B			1.88090e+03
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Temperature range, min.			378.56
Temperature range, max.			587.03
η	0.0019653	Pa×s	378.56	Calculated Property
η	0.0014757	Pa×s	401.72	Calculated Property
η	0.0011433	Pa×s	424.89	Calculated Property
η	0.0009094	Pa×s	448.05	Calculated Property
η	0.0007398	Pa×s	471.21	Calculated Property
η	0.0006136	Pa×s	494.38	Calculated Property
η	0.0005176	Pa×s	517.54	Calculated Property
η	0.0004429	Pa×s	540.71	Calculated Property
η	0.0003840	Pa×s	563.87	Calculated Property
η	0.0003366	Pa×s	587.03	Calculated Property

Property	Value	Unit	Temperature (K)	Source
Pvap	[1.33; 202.66]	kPa	[417.60; 601.39]	The Yaws Handbook of Vapor Pressure
Equation			ln(Y) = A + B/(T + C) Y is Pvap in kPa, T in K
Coefficient A			1.42901e+01
Coefficient B			-4.59924e+03
Coefficient C			-8.91440e+01
Temperature range, min.			417.60
Temperature range, max.			601.39
Pvap	1.33	kPa	417.60	Calculated Property
Pvap	3.03	kPa	438.02	Calculated Property
Pvap	6.27	kPa	458.44	Calculated Property
Pvap	12.05	kPa	478.86	Calculated Property
Pvap	21.68	kPa	499.28	Calculated Property
Pvap	36.90	kPa	519.71	Calculated Property
Pvap	59.85	kPa	540.13	Calculated Property
Pvap	93.09	kPa	560.55	Calculated Property
Pvap	139.59	kPa	580.97	Calculated Property
Pvap	202.66	kPa	601.39	Calculated Property

Similar Compounds

Find more compounds similar to 1,3-Benzenedicarbonyl dichloride.

Sources

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

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