1,3-Isobenzofurandione, 5-chloro- (CAS 118-45-6)

InChI

InChI=1S/C8H3ClO3/c9-4-1-2-5-6(3-4)8(11)12-7(5)10/h1-3H

InChI Key

BTTRMCQEPDPCPA-UHFFFAOYSA-N

Formula

C8H3ClO3

SMILES

O=C1OC(=O)c2cc(Cl)ccc21

Molecular Weight¹

182.56

CAS

118-45-6

Other Names

3-chlorophthalic anhydride
4-chlorophthalic anhydride

ω : Acentric Factor.
C_p,gas : Ideal gas heat capacity (J/mol×K).
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).
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).
T_boil : Normal Boiling Point Temperature (K).
T_boil : Boiling point at given pressure (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.

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Physical Properties

Property	Value	Unit	Source
ω	0.5461		Relay (1.0) Calculated Property
Δ_fG°	-165.14	kJ/mol	Joback Calculated Property
Δ_fH°_gas	-423.88	kJ/mol	Relay (1.0) Calculated Property
Δ_fusH°	18.00	kJ/mol	Joback Calculated Property
Δ_vapH°	70.62	kJ/mol	Relay (1.0) Calculated Property
IE	10.25	eV	Relay (1.0) Calculated Property
log₁₀WS	-3.29		Relay (1.0) Calculated Property
logP_oct/wat	1.651		Crippen Calculated Property
McVol	110.210	ml/mol	McGowan Calculated Property
P_c	4456.32	kPa	Joback Calculated Property
T_boil	560.00	K	Saturated vapor pressure of 4-fluorophthalic anhydride and 4-chlorophthalic anhydride and isobaric vapor-liquid phase equilibrium of 4-fluorophthalic anhydride + 4-chlorophthalic anhydride: Measurement and modeling
T_c	837.52	K	Relay (1.0) Calculated Property
T_fus	398.70	K	Solubilities of 3-Chlorophthalic Anhydride and 4-Chlorophthalic Anhydride in Different Pure Solvents
V_c	0.415	m³/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
C_p,gas	[245.58; 295.11]	J/mol×K	[630.51; 897.36]

C_p,gas	245.58	J/mol×K	630.51	Joback Calculated Property
C_p,gas	255.69	J/mol×K	674.98	Joback Calculated Property
C_p,gas	265.08	J/mol×K	719.46	Joback Calculated Property
C_p,gas	273.74	J/mol×K	763.93	Joback Calculated Property
C_p,gas	281.65	J/mol×K	808.41	Joback Calculated Property
C_p,gas	288.78	J/mol×K	852.88	Joback Calculated Property
C_p,gas	295.11	J/mol×K	897.36	Joback Calculated Property

Pressure Dependent Properties

Property	Value	Unit	Pressure (kPa)	Source
T_boil	[447.27; 559.17]	K	[3.41; 99.10]

T_boil	447.27	K	3.41	Saturated vapor pressure of 4-fluorophthalic anhydride and 4-chlorophthalic anhydride and isobaric vapor-liquid phase equilibrium of 4-fluorophthalic anhydride + 4-chlorophthalic anhydride: Measurement and modeling
T_boil	454.31	K	4.47	Saturated vapor pressure of 4-fluorophthalic anhydride and 4-chlorophthalic anhydride and isobaric vapor-liquid phase equilibrium of 4-fluorophthalic anhydride + 4-chlorophthalic anhydride: Measurement and modeling
T_boil	458.14	K	5.15	Saturated vapor pressure of 4-fluorophthalic anhydride and 4-chlorophthalic anhydride and isobaric vapor-liquid phase equilibrium of 4-fluorophthalic anhydride + 4-chlorophthalic anhydride: Measurement and modeling
T_boil	460.53	K	5.63	Saturated vapor pressure of 4-fluorophthalic anhydride and 4-chlorophthalic anhydride and isobaric vapor-liquid phase equilibrium of 4-fluorophthalic anhydride + 4-chlorophthalic anhydride: Measurement and modeling
T_boil	464.38	K	6.46	Saturated vapor pressure of 4-fluorophthalic anhydride and 4-chlorophthalic anhydride and isobaric vapor-liquid phase equilibrium of 4-fluorophthalic anhydride + 4-chlorophthalic anhydride: Measurement and modeling
T_boil	467.50	K	7.21	Saturated vapor pressure of 4-fluorophthalic anhydride and 4-chlorophthalic anhydride and isobaric vapor-liquid phase equilibrium of 4-fluorophthalic anhydride + 4-chlorophthalic anhydride: Measurement and modeling
T_boil	471.34	K	8.27	Saturated vapor pressure of 4-fluorophthalic anhydride and 4-chlorophthalic anhydride and isobaric vapor-liquid phase equilibrium of 4-fluorophthalic anhydride + 4-chlorophthalic anhydride: Measurement and modeling
T_boil	474.46	K	9.22	Saturated vapor pressure of 4-fluorophthalic anhydride and 4-chlorophthalic anhydride and isobaric vapor-liquid phase equilibrium of 4-fluorophthalic anhydride + 4-chlorophthalic anhydride: Measurement and modeling
T_boil	478.77	K	10.66	Saturated vapor pressure of 4-fluorophthalic anhydride and 4-chlorophthalic anhydride and isobaric vapor-liquid phase equilibrium of 4-fluorophthalic anhydride + 4-chlorophthalic anhydride: Measurement and modeling
T_boil	481.63	K	11.74	Saturated vapor pressure of 4-fluorophthalic anhydride and 4-chlorophthalic anhydride and isobaric vapor-liquid phase equilibrium of 4-fluorophthalic anhydride + 4-chlorophthalic anhydride: Measurement and modeling
T_boil	484.75	K	12.99	Saturated vapor pressure of 4-fluorophthalic anhydride and 4-chlorophthalic anhydride and isobaric vapor-liquid phase equilibrium of 4-fluorophthalic anhydride + 4-chlorophthalic anhydride: Measurement and modeling
T_boil	488.12	K	14.48	Saturated vapor pressure of 4-fluorophthalic anhydride and 4-chlorophthalic anhydride and isobaric vapor-liquid phase equilibrium of 4-fluorophthalic anhydride + 4-chlorophthalic anhydride: Measurement and modeling
T_boil	491.12	K	15.93	Saturated vapor pressure of 4-fluorophthalic anhydride and 4-chlorophthalic anhydride and isobaric vapor-liquid phase equilibrium of 4-fluorophthalic anhydride + 4-chlorophthalic anhydride: Measurement and modeling
T_boil	493.51	K	17.17	Saturated vapor pressure of 4-fluorophthalic anhydride and 4-chlorophthalic anhydride and isobaric vapor-liquid phase equilibrium of 4-fluorophthalic anhydride + 4-chlorophthalic anhydride: Measurement and modeling
T_boil	496.04	K	18.59	Saturated vapor pressure of 4-fluorophthalic anhydride and 4-chlorophthalic anhydride and isobaric vapor-liquid phase equilibrium of 4-fluorophthalic anhydride + 4-chlorophthalic anhydride: Measurement and modeling
T_boil	498.87	K	20.24	Saturated vapor pressure of 4-fluorophthalic anhydride and 4-chlorophthalic anhydride and isobaric vapor-liquid phase equilibrium of 4-fluorophthalic anhydride + 4-chlorophthalic anhydride: Measurement and modeling
T_boil	501.20	K	21.71	Saturated vapor pressure of 4-fluorophthalic anhydride and 4-chlorophthalic anhydride and isobaric vapor-liquid phase equilibrium of 4-fluorophthalic anhydride + 4-chlorophthalic anhydride: Measurement and modeling
T_boil	503.82	K	23.52	Saturated vapor pressure of 4-fluorophthalic anhydride and 4-chlorophthalic anhydride and isobaric vapor-liquid phase equilibrium of 4-fluorophthalic anhydride + 4-chlorophthalic anhydride: Measurement and modeling
T_boil	506.46	K	25.37	Saturated vapor pressure of 4-fluorophthalic anhydride and 4-chlorophthalic anhydride and isobaric vapor-liquid phase equilibrium of 4-fluorophthalic anhydride + 4-chlorophthalic anhydride: Measurement and modeling
T_boil	509.05	K	27.38	Saturated vapor pressure of 4-fluorophthalic anhydride and 4-chlorophthalic anhydride and isobaric vapor-liquid phase equilibrium of 4-fluorophthalic anhydride + 4-chlorophthalic anhydride: Measurement and modeling
T_boil	511.82	K	29.59	Saturated vapor pressure of 4-fluorophthalic anhydride and 4-chlorophthalic anhydride and isobaric vapor-liquid phase equilibrium of 4-fluorophthalic anhydride + 4-chlorophthalic anhydride: Measurement and modeling
T_boil	514.56	K	31.99	Saturated vapor pressure of 4-fluorophthalic anhydride and 4-chlorophthalic anhydride and isobaric vapor-liquid phase equilibrium of 4-fluorophthalic anhydride + 4-chlorophthalic anhydride: Measurement and modeling
T_boil	517.33	K	34.47	Saturated vapor pressure of 4-fluorophthalic anhydride and 4-chlorophthalic anhydride and isobaric vapor-liquid phase equilibrium of 4-fluorophthalic anhydride + 4-chlorophthalic anhydride: Measurement and modeling
T_boil	520.10	K	37.26	Saturated vapor pressure of 4-fluorophthalic anhydride and 4-chlorophthalic anhydride and isobaric vapor-liquid phase equilibrium of 4-fluorophthalic anhydride + 4-chlorophthalic anhydride: Measurement and modeling
T_boil	522.91	K	40.20	Saturated vapor pressure of 4-fluorophthalic anhydride and 4-chlorophthalic anhydride and isobaric vapor-liquid phase equilibrium of 4-fluorophthalic anhydride + 4-chlorophthalic anhydride: Measurement and modeling
T_boil	526.11	K	43.82	Saturated vapor pressure of 4-fluorophthalic anhydride and 4-chlorophthalic anhydride and isobaric vapor-liquid phase equilibrium of 4-fluorophthalic anhydride + 4-chlorophthalic anhydride: Measurement and modeling
T_boil	528.63	K	46.79	Saturated vapor pressure of 4-fluorophthalic anhydride and 4-chlorophthalic anhydride and isobaric vapor-liquid phase equilibrium of 4-fluorophthalic anhydride + 4-chlorophthalic anhydride: Measurement and modeling
T_boil	531.55	K	50.50	Saturated vapor pressure of 4-fluorophthalic anhydride and 4-chlorophthalic anhydride and isobaric vapor-liquid phase equilibrium of 4-fluorophthalic anhydride + 4-chlorophthalic anhydride: Measurement and modeling
T_boil	534.47	K	54.42	Saturated vapor pressure of 4-fluorophthalic anhydride and 4-chlorophthalic anhydride and isobaric vapor-liquid phase equilibrium of 4-fluorophthalic anhydride + 4-chlorophthalic anhydride: Measurement and modeling
T_boil	537.45	K	58.75	Saturated vapor pressure of 4-fluorophthalic anhydride and 4-chlorophthalic anhydride and isobaric vapor-liquid phase equilibrium of 4-fluorophthalic anhydride + 4-chlorophthalic anhydride: Measurement and modeling
T_boil	540.44	K	63.31	Saturated vapor pressure of 4-fluorophthalic anhydride and 4-chlorophthalic anhydride and isobaric vapor-liquid phase equilibrium of 4-fluorophthalic anhydride + 4-chlorophthalic anhydride: Measurement and modeling
T_boil	543.50	K	68.30	Saturated vapor pressure of 4-fluorophthalic anhydride and 4-chlorophthalic anhydride and isobaric vapor-liquid phase equilibrium of 4-fluorophthalic anhydride + 4-chlorophthalic anhydride: Measurement and modeling
T_boil	546.20	K	72.98	Saturated vapor pressure of 4-fluorophthalic anhydride and 4-chlorophthalic anhydride and isobaric vapor-liquid phase equilibrium of 4-fluorophthalic anhydride + 4-chlorophthalic anhydride: Measurement and modeling
T_boil	549.65	K	79.29	Saturated vapor pressure of 4-fluorophthalic anhydride and 4-chlorophthalic anhydride and isobaric vapor-liquid phase equilibrium of 4-fluorophthalic anhydride + 4-chlorophthalic anhydride: Measurement and modeling
T_boil	553.24	K	86.41	Saturated vapor pressure of 4-fluorophthalic anhydride and 4-chlorophthalic anhydride and isobaric vapor-liquid phase equilibrium of 4-fluorophthalic anhydride + 4-chlorophthalic anhydride: Measurement and modeling
T_boil	555.97	K	92.12	Saturated vapor pressure of 4-fluorophthalic anhydride and 4-chlorophthalic anhydride and isobaric vapor-liquid phase equilibrium of 4-fluorophthalic anhydride + 4-chlorophthalic anhydride: Measurement and modeling
T_boil	559.17	K	99.10	Saturated vapor pressure of 4-fluorophthalic anhydride and 4-chlorophthalic anhydride and isobaric vapor-liquid phase equilibrium of 4-fluorophthalic anhydride + 4-chlorophthalic anhydride: Measurement and modeling

Similar Compounds

Phthalic acid, di(2,5-dichlorobenzyl) ester.

5-Isobenzofurancarbonyl chloride, 1,3-dihydro-1,3-dioxo-.

Phthalic acid, di(2,4-dichlorobenzyl) ester.

1,3-Dioxoisobenzofuran-5-carboxylic acid, trimethylsilyl ester.

Phthalic acid, di(2,4,6-trichlorobenzyl) ester.

Find more compounds similar to 1,3-Isobenzofurandione, 5-chloro-.

Mixtures

Sources

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