Dibutyl phthalate

Formula: C₁₆H₂₂O₄
Molecular weight: 278.3435
IUPAC Standard 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
IUPAC Standard InChIKey: DOIRQSBPFJWKBE-UHFFFAOYSA-N
CAS Registry Number: 84-74-2
Chemical structure:
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Other names: 1,2-Benzenedicarboxylic acid, dibutyl ester; Phthalic acid, dibutyl ester; n-Butyl phthalate; Butyl phthalate; Celluflex DPB; Elaol; Genoplast B; Hexaplas M/B; Palatinol C; Polycizer DBP; PX 104; Staflex DBP; Unimoll DB; Witcizer 300; Benzene-o-dicarboxylic acid, di-n-butyl ester; o-Benzenedicarboxylic acid, dibutyl ester; Dibutyl-1,2-benzenedicarboxylate; di-n-Butyl phthalate; Phthalic acid di-n-butyl ester; Dibutyl o-phthalate; DBP; RCRA waste number U069; Dibutyl ester of 1,2-benzenedicarboxylic acid; Kodaflex DBP; Morflex 240; Palatinol DBP; Uniplex 150; Dibutyl phthalated; 1,2-Benzenedicarboxylic acid, 1,2-dibutyl ester; DBP (ester); Ergoplast FDB; NSC 6370
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NIST / TRC Web Thermo Tables, professional edition (thermophysical and thermochemical data)

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Condensed phase thermochemistry data

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Data compiled as indicated in comments:
ALS - Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein
DH - Eugene S. Domalski and Elizabeth D. Hearing

Quantity	Value	Units	Method	Reference	Comment
Δ_fH°_liquid	-778.	kJ/mol	Ccb	Taylor, Hall, et al., 1947	At 290 °K, corrected hf; ALS
Quantity	Value	Units	Method	Reference	Comment
Δ_cH°_liquid	-8661.	kJ/mol	Ccb	Taylor, Hall, et al., 1947	At 290 °K, corrected hf; Corresponding Δ_fHº_liquid = -778. kJ/mol (simple calculation by NIST; no Washburn corrections); ALS
Quantity	Value	Units	Method	Reference	Comment
S°_liquid	561.1	J/mol*K	N/A	Rabinovich, Novoselova, et al., 1985	DH
S°_liquid	933.0	J/mol*K	N/A	Rabinovich, Martynenko, et al., 1969	DH
Quantity	Value	Units	Method	Reference	Comment
Δ_fH°_solid	-843. ± 13.	kJ/mol	Ccb	Ambler, 1936	Reanalyzed by Cox and Pilcher, 1970, Original value = -827. ± 13. kJ/mol; Author's hf298=-198 kcal/mol; ALS
Quantity	Value	Units	Method	Reference	Comment
Δ_cH°_solid	-8598. ± 13.	kJ/mol	Ccb	Ambler, 1936	Reanalyzed by Cox and Pilcher, 1970, Original value = -8613. ± 13. kJ/mol; Author's hf298=-198 kcal/mol; Corresponding Δ_fHº_solid = -842.57 kJ/mol (simple calculation by NIST; no Washburn corrections); ALS
Quantity	Value	Units	Method	Reference	Comment
S°_{solid,1 bar}	514.6	J/mol*K	N/A	Martynenko, Rabinovich, et al., 1970	DH

Constant pressure heat capacity of liquid

C_p,liquid (J/mol*K)	Temperature (K)	Reference	Comment
476.0	298.15	Rabinovich, Novoselova, et al., 1985	T = 14 to 300 K.; DH
477.0	300.	Rabinovich, Martynenko, et al., 1969	T = 60 to 360 K.; DH

Constant pressure heat capacity of solid

C_p,solid (J/mol*K)	Temperature (K)	Reference	Comment
477.0	300.	Martynenko, Rabinovich, et al., 1970	T = 60 to 360 K.; DH

References

Go To: Top, Condensed phase thermochemistry data, Notes

Taylor, Hall, et al., 1947
Taylor, J.; Hall, C.R.L.; Thomas, H., The thermochemistry of propellent explosives, J. Phys. Colloid Chem., 1947, 51, 580-592. [all data]

Rabinovich, Novoselova, et al., 1985
Rabinovich, I.B.; Novoselova, N.V.; Moseeva, E.M.; Babinkov, A.G.; Tsvetkova, L.Ya., Low temperature specific heat and thermodynamic functions of dibutyl and dioctyl phthalate, Zhur. Fiz. Khim., 1985, 59, 2127-2130. [all data]

Rabinovich, Martynenko, et al., 1969
Rabinovich, I.E.; Martynenko, L.Ya.; Maslova, V.A., Specific heat and physical properties of some dialkyl phthalates, Tr. Khim. Khim. Tekhnol. 1969, 1969, No.2, 10-14. [all data]

Ambler, 1936
Ambler, H.R., Heats of combustion and formation of dibutyl and diamyl phthalates, J. Indian Chem. Soc., 1936, 55, 291-292. [all data]

Cox and Pilcher, 1970
Cox, J.D.; Pilcher, G., Thermochemistry of Organic and Organometallic Compounds, Academic Press, New York, 1970, 1-636. [all data]

Martynenko, Rabinovich, et al., 1970
Martynenko, L.Ya.; Rabinovich, I.B.; Ovchinnikov, Yu.V.; Maslova, V.A., Heat capacity of the systems polyvinyl chloride-dioctylphthalate and polyvinyl chloride-dibutylphthalate, Polymer Sci., 1970, USSR 12A, 952-961. [all data]

Notes

Go To: Top, Condensed phase thermochemistry data, References

Symbols used in this document:

C_p,liquid	Constant pressure heat capacity of liquid
C_p,solid	Constant pressure heat capacity of solid
S°_liquid	Entropy of liquid at standard conditions
S°_{solid,1 bar}	Entropy of solid at standard conditions (1 bar)
Δ_cH°_liquid	Enthalpy of combustion of liquid at standard conditions
Δ_cH°_solid	Enthalpy of combustion of solid at standard conditions
Δ_fH°_liquid	Enthalpy of formation of liquid at standard conditions
Δ_fH°_solid	Enthalpy of formation of solid at standard conditions

Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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