Chemical Properties of Dibutyl phthalate (CAS 84-74-2)

InChI

InChI=1S/C16H22O4/c1-3-5-11-19-15(17)13-9-7-8-10-14(13)16(18)20-12-6-4-2/h7-10H,3-6,11-12H2,1-2H3

InChI Key

DOIRQSBPFJWKBE-UHFFFAOYSA-N

Formula

C16H22O4

SMILES

CCCCOC(=O)c1ccccc1C(=O)OCCCC

Molecular Weight¹

278.34

CAS

84-74-2

Other Names

• 1,2-Benzenedicarboxylic acid, 1,2-dibutyl ester
• 1,2-benzenedicarboxylic acid dibutyl ester
• 1,2-benzenedicarboxylic acid, dibutyl ester
• Benzene-o-dicarboxylic acid, di-n-butyl ester
• Butyl phthalate
• DBP
• DBP (ester)
• Dibutyl ester of 1,2-benzenedicarboxylic acid
• Dibutyl phthalated
• Dibutyl-1,2-benzenedicarboxylate
• Morflex 240
• NSC 6370
• PX 104
• Palatinol DBP
• RCRA waste number U069
• Uniplex 150
• bis-n-butyl phthalate
• celluflex DPB
• corflex 440
• di(n-butyl) 1,2-benzenedicarboxylate
• di-n-Butyl phthalate
• dibutyl 1,2-benzenedicarboxylate
• dibutyl benzene-1,2-dicarboxylate
• dibutyl o-phthalate
• dibutylphthalate
• elaol
• ergoplast FDB
• genoplast B
• hatco DBP
• hexaplas M/B
• kodaflex DBP
• monocizer DBP
• n-butyl phthalate
• o-Benzenedicarboxylic acid, dibutyl ester
• palatinol C
• phthalic acid , dibutyl ester
• phthalic acid di-n-butyl ester
• phthalic acid, dibutyl ester
• polycizer DBP
• staflex DBP
• unimoll DB
• vestinol C
• witcizer 300

• 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).
• C_p,solid : Solid phase heat capacity (J/mol×K).
• η : Dynamic viscosity (Pa×s).
• Δ_fH°_gas : Enthalpy of formation at standard conditions (kJ/mol).
• Δ_fH°_liquid : Liquid phase 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_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).
• NFPA Fire : NFPA Fire Rating.
• 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.
• S°_liquid : Liquid phase molar entropy at standard conditions (J/mol×K).
• 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).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ω	0.8565		Relay (1.0) Calculated Property
ΔcH°liquid	-8661.00	kJ/mol	NIST
ΔcH°solid	-8598.00 ± 13.00	kJ/mol	NIST
ΔfH°gas	-686.30	kJ/mol	NIST
ΔfH°liquid	-778.00	kJ/mol	NIST
ΔfH°solid	-843.00 ± 13.00	kJ/mol	NIST
ΔfusH°	39.59	kJ/mol	Joback Calculated Property
ΔsubH°	89.54	kJ/mol	NIST
ΔvapH°	91.70 ± 4.60	kJ/mol	NIST
IE	9.15	eV	Relay (1.0) Calculated Property
log10WS	[-4.40; -4.34]
log10WS	-4.34		Aq. Solubility Prediction
log10WS	-4.40		Estimated Solubility
logPoct/wat	3.600		Crippen Calculated Property
McVol	227.420	ml/mol	McGowan Calculated Property
NFPA Fire	1		KDB
Pc	1660.00	kPa	Critical Temperatures and Pressures of 12 Phthalates Using the Pulse-Heating Method
Inp	[324.00; 1980.00]
Inp	1937.00		NIST
Inp	1938.00		NIST
Inp	1940.00		NIST
Inp	1926.00		NIST
Inp	1919.00		NIST
Inp	1922.00		NIST
Inp	1913.00		NIST
Inp	1924.00		NIST
Inp	1940.00		NIST
Inp	1967.40		NIST
Inp	1970.00		NIST
Inp	1963.80		NIST
Inp	1959.70		NIST
Inp	1965.00		NIST
Inp	1968.40		NIST
Inp	1973.00		NIST
Inp	1909.10		NIST
Inp	1973.86		NIST
Inp	1976.88		NIST
Inp	1970.00		NIST
Inp	1974.00		NIST
Inp	1909.00		NIST
Inp	1910.00		NIST
Inp	1910.00		NIST
Inp	1970.00		NIST
Inp	1913.99		NIST
Inp	1916.64		NIST
Inp	1917.40		NIST
Inp	1924.51		NIST
Inp	1930.43		NIST
Inp	1929.33		NIST
Inp	1921.80		NIST
Inp	1955.00		NIST
Inp	1965.00		NIST
Inp	1930.00		NIST
Inp	1915.00		NIST
Inp	1960.00		NIST
Inp	1960.00		NIST
Inp	1957.00		NIST
Inp	1957.00		NIST
Inp	1907.00		NIST
Inp	1972.20		NIST
Inp	1959.00		NIST
Inp	1936.00		NIST
Inp	1936.00		NIST
Inp	1937.00		NIST
Inp	1937.00		NIST
Inp	1937.00		NIST
Inp	1938.00		NIST
Inp	1947.00		NIST
Inp	1912.00		NIST
Inp	1923.00		NIST
Inp	1903.00		NIST
Inp	1909.00		NIST
Inp	1920.00		NIST
Inp	1923.00		NIST
Inp	1917.00		NIST
Inp	1966.00		NIST
Inp	1914.00		NIST
Inp	1961.00		NIST
Inp	1970.00		NIST
Inp	1954.00		NIST
Inp	1906.00		NIST
Inp	1922.00		NIST
Inp	1980.00		NIST
Inp	1970.00		NIST
Inp	1940.00		NIST
Inp	1973.00		NIST
Inp	1959.00		NIST
Inp	1970.00		NIST
Inp	1969.00		NIST
Inp	1925.00		NIST
Inp	1938.00		NIST
Inp	1940.00		NIST
Inp	1950.00		NIST
Inp	1930.00		NIST
Inp	Outlier 331.60		NIST
Inp	Outlier 331.60		NIST
Inp	Outlier 331.50		NIST
Inp	Outlier 324.00		NIST
Inp	Outlier 326.93		NIST
Inp	Outlier 328.00		NIST
Inp	Outlier 331.60		NIST
Inp	1915.00		NIST
Inp	1919.00		NIST
I	[2618.00; 2705.00]
I	2630.00		NIST
I	2631.00		NIST
I	Outlier 2618.00		NIST
I	2678.00		NIST
I	2705.00		NIST
I	2693.00		NIST
I	2680.00		NIST
I	2667.00		NIST
I	2680.00		NIST
I	2683.00		NIST
I	2680.00		NIST
I	2680.00		NIST
I	2705.00		NIST
I	2683.00		NIST
S°liquid	[561.10; 933.00]	J/mol×K
S°liquid	561.10	J/mol×K	NIST
S°liquid	933.00	J/mol×K	NIST
S°solid,1 bar	514.60	J/mol×K	NIST
Tboil	[608.00; 613.30]	K
Tboil	613.20	K	(Liquid + liquid) equilibria of the (water + acetic acid + dibutyl phthalate) system
Tboil	613.30	K	(Liquid + liquid) equilibria of (water + butyric acid + esters) ternary systems
Tboil	608.00	K	KDB
Tboil	613.20	K	NIST
Tboil	613.00	K	NIST
Tc	796.71	K	Relay (1.0) Calculated Property
Tfus	[238.00; 238.00]	K
Tfus	238.00	K	KDB
Tfus	238.00	K	NIST
Vc	0.856	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	[637.41; 715.71]	J/mol×K	[713.78; 911.36]
Cp,gas	637.41	J/mol×K	713.78	Joback Calculated Property
Cp,gas	652.98	J/mol×K	746.71	Joback Calculated Property
Cp,gas	667.53	J/mol×K	779.64	Joback Calculated Property
Cp,gas	681.06	J/mol×K	812.57	Joback Calculated Property
Cp,gas	693.59	J/mol×K	845.50	Joback Calculated Property
Cp,gas	705.14	J/mol×K	878.43	Joback Calculated Property
Cp,gas	715.71	J/mol×K	911.36	Joback Calculated Property
Cp,liquid	[476.00; 477.00]	J/mol×K	[298.15; 300.00]
Cp,liquid	476.00	J/mol×K	298.15	NIST
Cp,liquid	477.00	J/mol×K	300.00	NIST
Cp,solid	477.00	J/mol×K	300.00	NIST
η	[0.0000742; 0.0014002]	Pa×s	[393.68; 713.78]
η	0.0014002	Pa×s	393.68	Joback Calculated Property
η	0.0006408	Pa×s	447.03	Joback Calculated Property
η	0.0003464	Pa×s	500.38	Joback Calculated Property
η	0.0002109	Pa×s	553.73	Joback Calculated Property
η	0.0001400	Pa×s	607.08	Joback Calculated Property
η	0.0000994	Pa×s	660.43	Joback Calculated Property
η	0.0000742	Pa×s	713.78	Joback Calculated Property
ΔvapH	[76.10; 99.30]	kJ/mol	[298.00; 536.50]
ΔvapH	99.30	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	91.70	kJ/mol	300.50	NIST
ΔvapH	84.10	kJ/mol	385.63	Synthesis and Physical and Thermodynamic Properties of Lactic Acid and Malic Acid-Based Natural Deep Eutectic Solvents
ΔvapH	94.00	kJ/mol	391.50	NIST
ΔvapH	84.00	kJ/mol	393.00	Express thermo-gravimetric method for the vaporization enthalpies appraisal for very low volatile molecular and ionic compounds.
ΔvapH	80.40	kJ/mol	462.00	NIST
ΔvapH	76.10	kJ/mol	536.50	NIST
Pvap	[2.40e-05; 0.15]	kPa	[313.15; 423.15]
Pvap	2.40e-05	kPa	313.15	Aqueous solubility, vapor pressure and octanol-water partition coefficient of two phthalate isomers dibutyl phthalate and di-isobutyl phthalate contaminants of recycled food packages
Pvap	1.95e-04	kPa	333.15	Aqueous solubility, vapor pressure and octanol-water partition coefficient of two phthalate isomers dibutyl phthalate and di-isobutyl phthalate contaminants of recycled food packages
Pvap	1.29e-03	kPa	353.15	Aqueous solubility, vapor pressure and octanol-water partition coefficient of two phthalate isomers dibutyl phthalate and di-isobutyl phthalate contaminants of recycled food packages
Pvap	6.21e-03	kPa	373.15	Aqueous solubility, vapor pressure and octanol-water partition coefficient of two phthalate isomers dibutyl phthalate and di-isobutyl phthalate contaminants of recycled food packages
Pvap	0.02	kPa	393.15	Aqueous solubility, vapor pressure and octanol-water partition coefficient of two phthalate isomers dibutyl phthalate and di-isobutyl phthalate contaminants of recycled food packages
Pvap	0.15	kPa	423.15	Aqueous solubility, vapor pressure and octanol-water partition coefficient of two phthalate isomers dibutyl phthalate and di-isobutyl phthalate contaminants of recycled food packages
n0	[1.49090; 1.49270]		[293.15; 293.20]
n0	1.49090		293.15	Distribution of Butyric Acid between Water and Several Solvents
n0	1.49270		293.20	Isothermal (vapor + liquid) equilibria of maleic anhydride + di-isobutyl hexahydrophthalate and maleic anhydride + di-n-butyl phthalate systems at T= (413.2, 433.2 and 453.2) K
ρl	[1042.00; 1047.00]	kg/m3	[293.00; 298.15]
ρl	1047.00	kg/m3	293.00	KDB
ρl	1042.00	kg/m3	298.15	Osmotic and activity coefficients for five lithium salts in three non-aqueous solvents

Correlations

Property	Value	Unit	Temperature (K)	Source
Pvap	[1.33; 202.66]	kPa	[472.18; 634.46]	The Yaws Handbook of Vapor Pressure
Equation			ln(Pvp) = A + B/(T + C)
Coefficient A			1.71161e+01
Coefficient B			-6.41692e+03
Coefficient C			-9.08660e+01
Temperature range, min.			472.18
Temperature range, max.			634.46
Pvap	1.33	kPa	472.18	Calculated Property
Pvap	2.85	kPa	490.21	Calculated Property
Pvap	5.71	kPa	508.24	Calculated Property
Pvap	10.79	kPa	526.27	Calculated Property
Pvap	19.38	kPa	544.30	Calculated Property
Pvap	33.30	kPa	562.34	Calculated Property
Pvap	54.98	kPa	580.37	Calculated Property
Pvap	87.60	kPa	598.40	Calculated Property
Pvap	135.17	kPa	616.43	Calculated Property
Pvap	202.66	kPa	634.46	Calculated Property
Pvap	[1.21e-11; 1869.53]	kPa	[238.15; 781.00]	KDB Vapor Pressure Data
Equation			ln(Pvp) = A + B/T + C*ln(T) + D*T^2
Coefficient A			2.53163e+02
Coefficient B			-2.23385e+04
Coefficient C			-3.38550e+01
Coefficient D			1.38807e-05
Temperature range, min.			238.15
Temperature range, max.			781.00
Pvap	1.21e-11	kPa	238.15	Calculated Property
Pvap	1.56e-06	kPa	298.47	Calculated Property
Pvap	1.55e-03	kPa	358.78	Calculated Property
Pvap	0.12	kPa	419.10	Calculated Property
Pvap	2.19	kPa	479.42	Calculated Property
Pvap	17.02	kPa	539.73	Calculated Property
Pvap	78.43	kPa	600.05	Calculated Property
Pvap	263.78	kPa	660.37	Calculated Property
Pvap	737.63	kPa	720.68	Calculated Property
Pvap	1869.53	kPa	781.00	Calculated Property

Similar Compounds

Find more compounds similar to Dibutyl phthalate.

Mixtures

• Dibutyl phthalate + Maleic anhydride
• Dibutyl phthalate + Butanoic acid + Water
• Dibutyl phthalate + Water
• Dibutyl phthalate + Acetic acid + Water
• Dibutyl phthalate + Furfural + Water
• Dibutyl phthalate + Formic acid + Water
• Dibutyl phthalate + Pentanoic acid, 4-oxo- + Water

Sources

• KDB Vapor Pressure Data
• Cheméo Relay (1.0)
• Crippen Method
• Aqueous solubility, vapor pressure and octanol-water partition coefficient of two phthalate isomers dibutyl phthalate and di-isobutyl phthalate contaminants of recycled food packages
• (Liquid + liquid) equilibria of the (water + acetic acid + dibutyl phthalate) system
• Isothermal (vapor + liquid) equilibria of maleic anhydride + di-isobutyl hexahydrophthalate and maleic anhydride + di-n-butyl phthalate systems at T= (413.2, 433.2 and 453.2) K
• (Liquid + liquid) equilibria of (water + butyric acid + esters) ternary systems
• Osmotic and activity coefficients for five lithium salts in three non-aqueous solvents
• Express thermo-gravimetric method for the vaporization enthalpies appraisal for very low volatile molecular and ionic compounds.
• 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
• Synthesis and Physical and Thermodynamic Properties of Lactic Acid and Malic Acid-Based Natural Deep Eutectic Solvents
• Liquid-Liquid Equilibria of Formic Acid and Furfural in a Biphasic Aqueous-Organic System: Optimization of Solvent and Amine Extractant
• Liquid-Liquid Equilibria for the Binary Systems (Water + Di-n-butyl Phthalate), (Water + Di-ethyl Phthalate), and (Water + Di-isobutyl Hexahydrophthalate) from (298.2 to 348.2) K
• Distribution of Butyric Acid between Water and Several Solvents
• Critical Temperatures and Pressures of 12 Phthalates Using the Pulse-Heating Method
• Determination of Henry's Law Constant Using Diffusion in Air and Water Boundary Layers
• Joback Method
• KDB
• Aqueous Solubility Prediction Method
• Estimated Solubility Method
• McGowan Method
• NIST Webbook
• The Yaws Handbook of Vapor Pressure

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