Chemical Properties of Phthalic anhydride (CAS 85-44-9)

InChI

InChI=1S/C8H4O3/c9-7-5-3-1-2-4-6(5)8(10)11-7/h1-4H

InChI Key

LGRFSURHDFAFJT-UHFFFAOYSA-N

Formula

C8H4O3

SMILES

O=C1OC(=O)c2ccccc21

Molecular Weight¹

148.12

CAS

85-44-9

Other Names

• 1,2-Benzenedicarboxylic acid anhydride
• 1,2-Benzenedicarboxylic anhydride
• 1,3-Dioxophthalan
• 1,3-Isobenzofurandione
• 1,3-Phthalandione
• Anhydrid kyseliny ftalove
• Anhydride phtalique
• Anidride ftalica
• Araldite HT 901
• ESEN
• Ftaalzuuranhydride
• Ftalanhydrid
• Ftalowy bezwodnik
• HT 901
• Isobenzofuran, 1,3-dihydro-1,3-dioxo-
• Isobenzofuran-1,3-dione
• NCI-C03601
• NSC 10431
• Phthalandione
• Phthalanhydride
• Phthalic acid anhydride
• Phthalsaeureanhydrid
• Rcra waste number U190
• Retarder AK
• Retarder ESEN
• Retarder PD
• Retarder PX
• Sconoc 7
• TGL 6525
• Vulkalent B/C
• o-Phthalic acid anhydride

• ω : Acentric Factor.
• Δ_cH°_solid : Standard solid enthalpy of combustion (kJ/mol).
• C_p,gas : Ideal gas heat capacity (J/mol×K).
• C_p,solid : Solid phase heat capacity (J/mol×K).
• μ : Dipole Moment (debye).
• EA : Electron affinity (eV).
• 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_fusH : Enthalpy of fusion at a given temperature (kJ/mol).
• Δ_subH° : Enthalpy of sublimation at standard conditions (kJ/mol).
• Δ_subH : Enthalpy of sublimation at a given temperature (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).
• NFPA Fire : NFPA Fire Rating.
• NFPA Health : NFPA Health Rating.
• P_c : Critical Pressure (kPa).
• P_vap : Vapor pressure (kPa).
• I_np : Non-polar retention indices.
• S°_{solid,1 bar} : Solid phase molar entropy at standard conditions (J/mol×K).
• 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).
• Z_c : Critical Compressibility.
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ω	0.5313		Relay (1.0) Calculated Property
ΔcH°solid	-3259.40	kJ/mol	NIST
μ	5.30	debye	KDB
EA	[1.25; 1.28]	eV
EA	1.25 ± 0.09	eV	NIST
EA	1.28 ± 0.05	eV	NIST
ΔfG°	-143.58	kJ/mol	Joback Calculated Property
ΔfH°gas	-371.80	kJ/mol	KDB
ΔfH°solid	-460.37	kJ/mol	NIST
ΔfusH°	23.55	kJ/mol	Thermal analysis of phase change materials in the temperature range 120.150 .C
ΔsubH°	88.70 ± 2.30	kJ/mol	NIST
ΔvapH°	66.71	kJ/mol	Relay (1.0) Calculated Property
IE	[10.10; 10.25]	eV
IE	10.10	eV	NIST
IE	10.25 ± 0.05	eV	NIST
log10WS	-1.39		Aq. Solubility Prediction
logPoct/wat	0.997		Crippen Calculated Property
McVol	97.970	ml/mol	McGowan Calculated Property
NFPA Fire	1		KDB
NFPA Health	2		KDB
Pc	4760.00	kPa	KDB
Inp	[225.33; 1319.00]
Inp	1313.00		NIST
Inp	1319.00		NIST
Inp	225.33		NIST
Inp	225.33		NIST
Inp	1319.00		NIST
Inp	1313.00		NIST
S°solid,1 bar	[179.50; 180.00]	J/mol×K
S°solid,1 bar	180.00	J/mol×K	NIST
S°solid,1 bar	179.50	J/mol×K	NIST
Tboil	[557.20; 560.00]	K
Tboil	560.00	K	KDB
Tboil	557.20	K	NIST
Tboil	558.25 ± 0.30	K	NIST
Tboil	557.83 ± 0.30	K	NIST
Tc	810.00	K	KDB
Tfus	[400.00; 404.76]	K
Tfus	404.55	K	Aq. Solubility Prediction
Tfus	404.00	K	KDB
Tfus	403.73 ± 0.20	K	NIST
Tfus	404.15	K	NIST
Tfus	404.15 ± 0.25	K	NIST
Tfus	404.35 ± 0.15	K	NIST
Tfus	Outlier 400.00 ± 1.50	K	NIST
Tfus	403.00 ± 3.00	K	NIST
Tfus	404.75 ± 0.15	K	NIST
Tfus	404.76 ± 0.07	K	NIST
Tfus	404.75 ± 0.07	K	NIST
Tfus	404.05 ± 0.40	K	NIST
Vc	0.368	m3/kmol	KDB
Zc	0.2600960		KDB

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[226.20; 282.16]	J/mol×K	[588.10; 850.92]
Cp,gas	226.20	J/mol×K	588.10	Joback Calculated Property
Cp,gas	237.41	J/mol×K	631.90	Joback Calculated Property
Cp,gas	247.88	J/mol×K	675.71	Joback Calculated Property
Cp,gas	257.60	J/mol×K	719.51	Joback Calculated Property
Cp,gas	266.56	J/mol×K	763.31	Joback Calculated Property
Cp,gas	274.75	J/mol×K	807.11	Joback Calculated Property
Cp,gas	282.16	J/mol×K	850.92	Joback Calculated Property
Cp,solid	[160.00; 161.80]	J/mol×K	[298.10; 298.15]
Cp,solid	161.80	J/mol×K	298.10	NIST
Cp,solid	160.00	J/mol×K	298.15	NIST
ΔfusH	[22.10; 23.09]	kJ/mol	[403.30; 404.50]
ΔfusH	23.09	kJ/mol	403.30	NIST
ΔfusH	23.09	kJ/mol	403.30	NIST
ΔfusH	22.10	kJ/mol	404.50	NIST
ΔsubH	[84.40; 88.40]	kJ/mol	[318.00; 368.00]
ΔsubH	88.40 ± 1.20	kJ/mol	318.00	NIST
ΔsubH	87.90	kJ/mol	348.00	NIST
ΔsubH	84.40 ± 1.20	kJ/mol	368.00	NIST
ΔvapH	[52.10; 87.90]	kJ/mol	[298.15; 521.00]
ΔvapH	87.90	kJ/mol	298.15	The effect of ketone groups on the energetic properties of phthalan derivatives
ΔvapH	63.90 ± 2.50	kJ/mol	430.50	NIST
ΔvapH	52.10	kJ/mol	482.50	NIST
ΔvapH	54.10	kJ/mol	521.00	NIST

Correlations

Property	Value	Unit	Temperature (K)	Source
Pvap	[1.33; 202.65]	kPa	[427.98; 587.15]	The Yaws Handbook of Vapor Pressure
Equation			ln(Pvp) = A + B/(T + C)
Coefficient A			1.65238e+01
Coefficient B			-5.76785e+03
Coefficient C			-7.27290e+01
Temperature range, min.			427.98
Temperature range, max.			587.15
Pvap	1.33	kPa	427.98	Calculated Property
Pvap	2.88	kPa	445.67	Calculated Property
Pvap	5.80	kPa	463.35	Calculated Property
Pvap	11.00	kPa	481.04	Calculated Property
Pvap	19.77	kPa	498.72	Calculated Property
Pvap	33.91	kPa	516.41	Calculated Property
Pvap	55.82	kPa	534.09	Calculated Property
Pvap	88.55	kPa	551.78	Calculated Property
Pvap	135.95	kPa	569.46	Calculated Property
Pvap	202.65	kPa	587.15	Calculated Property

Similar Compounds

Find more compounds similar to Phthalic anhydride.

Mixtures

• Menadione + Phthalic anhydride + Acetone
• Phthalic anhydride + Acetone
• 2-Naphthalenecarboxaldehyde + Phthalic anhydride + 1,4-Dioxane
• Phthalic anhydride + 1,4-Dioxane
• Menadione + Phthalic anhydride + 1,4-Dioxane

Sources

• Cheméo Relay (1.0)
• Crippen Method
• Measurement and correlation of ternary solid-liquid equilibrium of 2-methyl-1,4-naphthoquinone + phthalic anhydride + acetone system
• The effect of ketone groups on the energetic properties of phthalan derivatives
• Solid-liquid equilibrium and phase diagram for the ternary (2-naphthaldehyde + o-phthalic anhydride + 1,4-dioxane) system
• Thermal analysis of phase change materials in the temperature range 120.150 .C
• Solid-Liquid Equilibrium and Phase Diagram for Ternary 2-Methyl-1,4-naphthoquinone + Phthalic Anhydride +1,4-Dioxane System
• Joback Method
• KDB
• Aqueous Solubility Prediction Method
• McGowan Method
• NIST Webbook
• The Yaws Handbook of Vapor Pressure

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