Chemical Properties of Dimethyl phthalate (CAS 131-11-3)

InChI

InChI=1S/C10H10O4/c1-13-9(11)7-5-3-4-6-8(7)10(12)14-2/h3-6H,1-2H3

InChI Key

NIQCNGHVCWTJSM-UHFFFAOYSA-N

Formula

C10H10O4

SMILES

COC(=O)c1ccccc1C(=O)OC

Molecular Weight¹

194.18

CAS

131-11-3

Other Names

• 1,2-BENZENEDICARBOXYLIC ACID
• 1,2-Benzenedicarboxylic acid, 1,2-dimethyl ester
• 1,2-benzenedicarboxylic acid, dimethyl ester
• 1,2-dimethyl phthalate
• 64441-70-9
• Avolin
• DIMETHYL ESTER
• DMF, Insect repellent
• DMP
• Dimethyl 1,2-benzendicarboxylate
• Dimethyl benzene-o-dicarboxylate
• Dimethyl benzeneorthodicarboxylate
• Dimethyl o-phthalate
• Dimethyl orthophthalate
• ENT 262
• Fermine
• Kemester DMP
• Kodaflex DMP
• Mipax
• NSC 15398
• NTM
• Palatinol M
• Phthalsaeuredimethylester
• Repeftal
• Solvanom
• Solvarone
• Unimoll DM
• Uniplex 110
• dimethyl 1,2-benzenedicarboxylate
• dimethyl benzene-1,2-dicarboxylate
• phthalic acid, dimethyl ester

• ω : Acentric Factor.
• Δ_cH°_liquid : Standard liquid enthalpy of combustion (kJ/mol).
• Δ_cH°_solid : Standard solid enthalpy of combustion (kJ/mol).
• C_p,gas : Ideal gas heat capacity (J/mol×K).
• C_p,liquid : Liquid phase heat capacity (J/mol×K).
• η : Dynamic viscosity (Pa×s).
• EA : Electron affinity (eV).
• 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_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).
• n₀ : Refractive Index.
• ρ_l : Liquid Density (kg/m³).
• I_np : Non-polar retention indices.
• I : Polar retention indices.
• Δ_fusS : Entropy of fusion at a given temperature (J/mol×K).
• S°_liquid : Liquid phase molar entropy at standard conditions (J/mol×K).
• 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).
• T_triple : Triple Point Temperature (K).
• V_c : Critical Volume (m³/kmol).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ω	0.6121		Relay (1.0) Calculated Property
ΔcH°liquid	-4702.00	kJ/mol	NIST
ΔcH°solid	-4680.40 ± 2.40	kJ/mol	NIST
EA	0.55	eV	NIST
ΔfH°gas	-606.10 ± 2.70	kJ/mol	NIST
ΔfH°solid	-683.80 ± 2.70	kJ/mol	NIST
ΔfusH°	24.05	kJ/mol	Joback Calculated Property
ΔsubH°	77.70	kJ/mol	NIST
ΔvapH°	73.98	kJ/mol	Relay (1.0) Calculated Property
IE	9.64 ± 0.07	eV	NIST
log10WS	[-1.74; -1.66]
log10WS	-1.74		Aq. Solubility Prediction
log10WS	-1.66		Estimated Solubility
logPoct/wat	1.260		Crippen Calculated Property
McVol	142.880	ml/mol	McGowan Calculated Property
Pc	2770.00	kPa	Critical Temperatures and Pressures of 12 Phthalates Using the Pulse-Heating Method
Inp	[248.00; 1481.00]
Inp	1409.00		NIST
Inp	1418.00		NIST
Inp	1427.00		NIST
Inp	1437.00		NIST
Inp	1453.00		NIST
Inp	1416.00		NIST
Inp	1420.00		NIST
Inp	1457.00		NIST
Inp	1435.00		NIST
Inp	1434.00		NIST
Inp	1476.00		NIST
Inp	1400.00		NIST
Inp	1457.00		NIST
Inp	1454.00		NIST
Inp	1400.00		NIST
Inp	1425.00		NIST
Inp	1429.29		NIST
Inp	1431.47		NIST
Inp	1429.44		NIST
Inp	1440.94		NIST
Inp	1441.55		NIST
Inp	1433.14		NIST
Inp	1431.25		NIST
Inp	1449.00		NIST
Inp	1457.00		NIST
Inp	1425.00		NIST
Inp	1466.20		NIST
Inp	1406.00		NIST
Inp	1458.00		NIST
Inp	1454.00		NIST
Inp	1460.70		NIST
Inp	1417.00		NIST
Inp	1417.00		NIST
Inp	1417.00		NIST
Inp	1417.00		NIST
Inp	1417.00		NIST
Inp	1418.00		NIST
Inp	1426.00		NIST
Inp	1400.00		NIST
Inp	1405.00		NIST
Inp	1456.00		NIST
Inp	1406.00		NIST
Inp	1414.00		NIST
Inp	1414.00		NIST
Inp	1481.00		NIST
Inp	1445.00		NIST
Inp	1451.00		NIST
Inp	1469.00		NIST
Inp	1469.00		NIST
Inp	1460.00		NIST
Inp	1456.00		NIST
Inp	1440.00		NIST
Inp	1413.00		NIST
Inp	1453.00		NIST
Inp	1406.00		NIST
Inp	Outlier 257.40		NIST
Inp	Outlier 248.00		NIST
Inp	1409.00		NIST
Inp	1416.00		NIST
Inp	1445.00		NIST
Inp	1456.00		NIST
I	[2276.00; 2325.00]
I	2303.00		NIST
I	2303.00		NIST
I	2276.00		NIST
I	2325.00		NIST
S°liquid	365.50	J/mol×K	NIST
Tboil	[555.20; 557.08]	K
Tboil	557.08	K	(Liquid + liquid) equilibria of (water + propionic acid + dimethyl phthalate) at several temperatures
Tboil	556.80	K	(Liquid + liquid) equilibria of (water + butyric acid + esters) ternary systems
Tboil	555.20	K	NIST
Tboil	555.50	K	NIST
Tc	745.45	K	Relay (1.0) Calculated Property
Tfus	[273.00; 276.77]	K
Tfus	276.77	K	Aq. Solubility Prediction
Tfus	273.00	K	NIST
Tfus	273.20 ± 0.20	K	NIST
Ttriple	[274.18; 274.18]	K
Ttriple	274.18 ± 0.02	K	NIST
Ttriple	274.18 ± 0.02	K	NIST
Vc	0.529	m3/kmol	Relay (1.0) Calculated Property

Cheméo can also estimate Standard Gibbs free energy of formation 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

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[332.72; 395.80]	J/mol×K	[576.50; 791.05]
Cp,gas	332.72	J/mol×K	576.50	Joback Calculated Property
Cp,gas	345.19	J/mol×K	612.26	Joback Calculated Property
Cp,gas	356.88	J/mol×K	648.02	Joback Calculated Property
Cp,gas	367.79	J/mol×K	683.78	Joback Calculated Property
Cp,gas	377.91	J/mol×K	719.54	Joback Calculated Property
Cp,gas	387.25	J/mol×K	755.29	Joback Calculated Property
Cp,gas	395.80	J/mol×K	791.05	Joback Calculated Property
Cp,liquid	303.80	J/mol×K	300.00	NIST
η	[0.0001516; 0.0022172]	Pa×s	[326.06; 576.50]
η	0.0022172	Pa×s	326.06	Joback Calculated Property
η	0.0011001	Pa×s	367.80	Joback Calculated Property
η	0.0006296	Pa×s	409.54	Joback Calculated Property
η	0.0003996	Pa×s	451.28	Joback Calculated Property
η	0.0002739	Pa×s	493.02	Joback Calculated Property
η	0.0001991	Pa×s	534.76	Joback Calculated Property
η	0.0001516	Pa×s	576.50	Joback Calculated Property
ΔfusH	[16.95; 16.95]	kJ/mol	[274.18; 274.20]
ΔfusH	16.95	kJ/mol	274.18	NIST
ΔfusH	16.95	kJ/mol	274.18	NIST
ΔfusH	16.95	kJ/mol	274.20	NIST
ΔfusH	16.95	kJ/mol	274.20	NIST
ΔvapH	[61.50; 84.20]	kJ/mol	[298.00; 492.00]
ΔvapH	84.20	kJ/mol	298.00	A Comparison of Results by Correlation Gas Chromatography with Another Gas Chromatographic Retention Time Technique. The Effects of Retention Time Coincidence on Vaporization Enthalpy and Vapor Pressure
ΔvapH	74.50 ± 0.30	kJ/mol	326.00	NIST
ΔvapH	78.70	kJ/mol	337.50	NIST
ΔvapH	72.50 ± 0.60	kJ/mol	344.00	NIST
ΔvapH	69.40 ± 0.10	kJ/mol	365.00	NIST
ΔvapH	68.60	kJ/mol	408.50	NIST
ΔvapH	63.70	kJ/mol	459.00	NIST
ΔvapH	61.50	kJ/mol	492.00	NIST
n0	[1.50320; 1.51779]		[288.15; 323.15]
n0	1.51779		288.15	Experimental Determination and Modeling of Densities, Refractive Indices of the Binary Mixtures of Dimethylphthalate (or Dimethyladipate) + 1-Butanol, or + 2-Butanol, or + 2-Butanone at T = (288.15 to 323.15) K
n0	1.51565		293.15	Experimental Determination and Modeling of Densities, Refractive Indices of the Binary Mixtures of Dimethylphthalate (or Dimethyladipate) + 1-Butanol, or + 2-Butanol, or + 2-Butanone at T = (288.15 to 323.15) K
n0	1.51350		293.15	Distribution of Butyric Acid between Water and Several Solvents
n0	1.51600		293.20	Isobaric vapor-liquid equilibria of the binary system maleic anhydride and dimethyl phthalate at 2.67, 5.33 and 8.00 kPa
n0	1.51354		298.15	Experimental Determination and Modeling of Densities, Refractive Indices of the Binary Mixtures of Dimethylphthalate (or Dimethyladipate) + 1-Butanol, or + 2-Butanol, or + 2-Butanone at T = (288.15 to 323.15) K
n0	1.51146		303.15	Experimental Determination and Modeling of Densities, Refractive Indices of the Binary Mixtures of Dimethylphthalate (or Dimethyladipate) + 1-Butanol, or + 2-Butanol, or + 2-Butanone at T = (288.15 to 323.15) K
n0	1.50943		308.15	Experimental Determination and Modeling of Densities, Refractive Indices of the Binary Mixtures of Dimethylphthalate (or Dimethyladipate) + 1-Butanol, or + 2-Butanol, or + 2-Butanone at T = (288.15 to 323.15) K
n0	1.50736		313.15	Experimental Determination and Modeling of Densities, Refractive Indices of the Binary Mixtures of Dimethylphthalate (or Dimethyladipate) + 1-Butanol, or + 2-Butanol, or + 2-Butanone at T = (288.15 to 323.15) K
n0	1.50524		318.15	Experimental Determination and Modeling of Densities, Refractive Indices of the Binary Mixtures of Dimethylphthalate (or Dimethyladipate) + 1-Butanol, or + 2-Butanol, or + 2-Butanone at T = (288.15 to 323.15) K
n0	1.50320		323.15	Experimental Determination and Modeling of Densities, Refractive Indices of the Binary Mixtures of Dimethylphthalate (or Dimethyladipate) + 1-Butanol, or + 2-Butanol, or + 2-Butanone at T = (288.15 to 323.15) K
ρl	[1163.65; 1196.23]	kg/m3	[288.15; 323.15]
ρl	1196.23	kg/m3	288.15	Experimental Investigation of Interactions and Thermodynamic Properties of Poly(ethylene glycol) 200/400 + Dimethyl Adipate/Dimethyl Phthalate Binary Mixtures
ρl	1191.54	kg/m3	293.15	Experimental Investigation of Interactions and Thermodynamic Properties of Poly(ethylene glycol) 200/400 + Dimethyl Adipate/Dimethyl Phthalate Binary Mixtures
ρl	1186.90	kg/m3	298.15	Revision of the volumetric method for measurements of liquid liquid equilibria in binary systems
ρl	1186.87	kg/m3	298.15	Experimental Investigation of Interactions and Thermodynamic Properties of Poly(ethylene glycol) 200/400 + Dimethyl Adipate/Dimethyl Phthalate Binary Mixtures
ρl	1182.20	kg/m3	303.15	Experimental Investigation of Interactions and Thermodynamic Properties of Poly(ethylene glycol) 200/400 + Dimethyl Adipate/Dimethyl Phthalate Binary Mixtures
ρl	1177.55	kg/m3	308.15	Experimental Investigation of Interactions and Thermodynamic Properties of Poly(ethylene glycol) 200/400 + Dimethyl Adipate/Dimethyl Phthalate Binary Mixtures
ρl	1172.91	kg/m3	313.15	Experimental Investigation of Interactions and Thermodynamic Properties of Poly(ethylene glycol) 200/400 + Dimethyl Adipate/Dimethyl Phthalate Binary Mixtures
ρl	1168.28	kg/m3	318.15	Experimental Investigation of Interactions and Thermodynamic Properties of Poly(ethylene glycol) 200/400 + Dimethyl Adipate/Dimethyl Phthalate Binary Mixtures
ρl	1163.65	kg/m3	323.15	Experimental Investigation of Interactions and Thermodynamic Properties of Poly(ethylene glycol) 200/400 + Dimethyl Adipate/Dimethyl Phthalate Binary Mixtures
ΔfusS	[61.80; 61.80]	J/mol×K	[274.18; 274.18]
ΔfusS	61.80	J/mol×K	274.18	NIST
ΔfusS	61.80	J/mol×K	274.18	NIST

Pressure Dependent Properties

Correlations

Property	Value	Unit	Temperature (K)	Source
Pvap	[1.33; 202.68]	kPa	[418.67; 533.94]	The Yaws Handbook of Vapor Pressure
Equation			ln(Pvp) = A + B/(T + C)
Coefficient A			2.07702e+01
Coefficient B			-7.26443e+03
Coefficient C			-6.40100e+01
Temperature range, min.			418.67
Temperature range, max.			533.94
Pvap	1.33	kPa	418.67	Calculated Property
Pvap	2.72	kPa	431.48	Calculated Property
Pvap	5.30	kPa	444.29	Calculated Property
Pvap	9.87	kPa	457.09	Calculated Property
Pvap	17.68	kPa	469.90	Calculated Property
Pvap	30.57	kPa	482.71	Calculated Property
Pvap	51.17	kPa	495.52	Calculated Property
Pvap	83.13	kPa	508.32	Calculated Property
Pvap	131.43	kPa	521.13	Calculated Property
Pvap	202.68	kPa	533.94	Calculated Property
Pvap	[2.46e-05; 2664.64]	kPa	[272.15; 766.00]	KDB Vapor Pressure Data
Equation			ln(Pvp) = A + B/T + C*ln(T) + D*T^2
Coefficient A			5.81743e+01
Coefficient B			-1.02413e+04
Coefficient C			-5.55726e+00
Coefficient D			-1.68650e-08
Temperature range, min.			272.15
Temperature range, max.			766.00
Pvap	2.46e-05	kPa	272.15	Calculated Property
Pvap	4.89e-03	kPa	327.02	Calculated Property
Pvap	0.19	kPa	381.89	Calculated Property
Pvap	2.56	kPa	436.77	Calculated Property
Pvap	18.12	kPa	491.64	Calculated Property
Pvap	81.40	kPa	546.51	Calculated Property
Pvap	264.14	kPa	601.38	Calculated Property
Pvap	674.50	kPa	656.26	Calculated Property
Pvap	1437.44	kPa	711.13	Calculated Property
Pvap	2664.64	kPa	766.00	Calculated Property

Similar Compounds

Find more compounds similar to Dimethyl phthalate.

Mixtures

• Dimethyl phthalate + 1-Butanol
• Dimethyl phthalate + 2-Butanone
• Dimethyl phthalate + Water
• Dimethyl phthalate + Propanoic acid + Water
• Dimethyl phthalate + Maleic anhydride
• Dimethyl phthalate + Butanoic acid + Water
• Dimethyl phthalate + Pentanoic acid + Water
• Pentanoic acid, 4-oxo- + Dimethyl phthalate + Water
• Toluene + Dimethyl phthalate + Heptane
• n-Hexane + Toluene + Dimethyl phthalate
• Toluene + Dimethyl phthalate + Cyclohexane
• Dimethyl phthalate + Morpholine + Water

Sources

• KDB Vapor Pressure Data
• Cheméo Relay (1.0)
• Crippen Method
• Revision of the volumetric method for measurements of liquid liquid equilibria in binary systems
• Isobaric vapor-liquid equilibria of the binary system maleic anhydride and dimethyl phthalate at 2.67, 5.33 and 8.00 kPa
• (Liquid + liquid) equilibria of (water + propionic acid + dimethyl phthalate) at several temperatures
• (Liquid + liquid) equilibria of (water + butyric acid + esters) ternary systems
• New aspects of relationship between the enthalpies of fusion of aromatic compounds at the melting temperatures and the enthalpies of solution in benzene at 298.15 K. Part I
• Liquid-liquid equilibria for the aqueous mixture of C5 carboxylic acids and heavier than water solvents at T = 298.2 K
• Experimental Determination and Modeling of Densities, Refractive Indices of the Binary Mixtures of Dimethylphthalate (or Dimethyladipate) + 1-Butanol, or + 2-Butanol, or + 2-Butanone at T = (288.15 to 323.15) K
• New method for determination of vaporization and sublimation enthalpy of aromatic compounds at 298.15 K using solution calorimetry technique and group-additivity scheme
• Experimental Investigation of Interactions and Thermodynamic Properties of Poly(ethylene glycol) 200/400 + Dimethyl Adipate/Dimethyl Phthalate Binary Mixtures
• A Comparison of Results by Correlation Gas Chromatography with Another Gas Chromatographic Retention Time Technique. The Effects of Retention Time Coincidence on Vaporization Enthalpy and Vapor Pressure
• Parametric Analysis of Mandelic Acid Separation from Aqueous Solutions by Using Secondary Amine Mixture (Amberlite LA-2) in Various Diluents
• Distribution of Butyric Acid between Water and Several Solvents
• Critical Temperatures and Pressures of 12 Phthalates Using the Pulse-Heating Method
• Liquid Phase Equilibria for Mixtures of (Water + Morpholine + Ethyl Nonanoate, Dimethyl Phthalate, or Isoamyl Alcohol) at 298.15 K
• Phase Equilibria for Liquid Mixtures of (an Alkane + Toluene + Dimethyl Phthalate)
• Joback Method
• KDB
• Aqueous Solubility Prediction Method
• Estimated Solubility Method
• McGowan Method
• NIST Webbook
• The Yaws Handbook of Vapor Pressure

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