Chemical Properties of Tributyl acetylcitrate (CAS 77-90-7)

Tributyl acetylcitrate

InChI
InChI=1S/C20H34O8/c1-5-8-11-25-17(22)14-20(28-16(4)21,19(24)27-13-10-7-3)15-18(23)26-12-9-6-2/h5-15H2,1-4H3
InChI Key
QZCLKYGREBVARF-UHFFFAOYSA-N
Formula
C20H34O8
SMILES
CCCCOC(=O)CC(CC(=O)OCCCC)(OC(C)=O)C(=O)OCCCC
Molecular Weight1
402.48
CAS
77-90-7
Other Names
  • 1,2,3-Propanetricarboxylic acid, 2-(acetyloxy)-, tributyl ester
  • Citric acid, tributyl ester, acetate
  • Blo-trol
  • Citroflex A
  • Citroflex A 4
  • Tributyl acetylicitrate
  • Tributyl citrate acetate
  • Tributyl O-acetylcitrate
  • Tributyl 2-(acetyloxy)-1,2,3-propanetricarboxylic acid
  • Tributyl 2-acetoxy-1,2,3-propanetricarboxylate
  • 2-Acetoxy-1,2,3-propanetricarboxylic acid tributyl ester
  • Acetyl tributyl citrate
  • 2-(Acetyloxy)-1,2,3-propane tricarboxylic acid, tributyl ester
  • Acetyl butyl citrate
  • Acetyl tri-n-butyl citrate
  • Acetylcitric acid, tributyl ester
  • Estaflex ATC
  • O-Acetylcitric acid tributyl ester
  • Tributyl 2-(acetyloxy)-1,2,3-propanetricarboxylate
  • Uniplex 84
  • 1,2,3-Propanetricarboxylic acid, 2-acetoxy-, tributyl ester
  • 1,2,3-Propanetricarboxylic acid, 2-(acetyloxy)-, 1,2,3-tributyl ester
  • NSC 3894
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Physical Properties

Property Value Unit Source
ω 1.0616 Relay (1.0) Calculated Property
ΔfH°gas -1696.67 kJ/mol Relay (1.0) Calculated Property
ΔfH°solid -1848.00 kJ/mol NIST
ΔfusH° 57.62 kJ/mol Joback Calculated Property
ΔvapH° 96.43 kJ/mol Relay (1.0) Calculated Property
IE 9.21 eV Relay (1.0) Calculated Property
log10WS -3.71 Relay (1.0) Calculated Property
logPoct/wat 3.098 Crippen Calculated Property
McVol 322.420 ml/mol McGowan Calculated Property
Pc 1041.25 kPa Joback Calculated Property
Inp [2224.00; 2254.00]   Show Hide
Inp 2253.00 NIST
Inp 2224.00 NIST
Inp 2250.00 NIST
Inp 2254.00 NIST
Inp 2253.00 NIST
Inp 2253.00 NIST
Inp 2224.00 NIST
Inp 2253.00 NIST
Tboil 618.36 K Relay (1.0) Calculated Property
Tc 794.95 K Relay (1.0) Calculated Property
Tfus 270.73 K Relay (1.0) Calculated Property
Vc 1.202 m3/kmol Relay (1.0) Calculated Property

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Pressure Dependent Properties

Property Value Unit Pressure (kPa) Source
Tboilr 446.00 K 0.10 NIST

Correlations

Property Value Unit Temperature (K) Source
Cp,gas [493.65; 1085.05] J/mol×K [273.00; 1000.00] Joback Predicted correlation Show Hide
EquationY = A + B·T + C·T² + D·T³ + E·T⁴
Y is Cp,gas in J/mol×K, T in K
Coefficient A6.18710e+01
Coefficient B1.81048e+00
Coefficient C-8.57600e-04
Coefficient D7.03000e-08
Coefficient E0.00000e+00
Temperature range, min.273.00
Temperature range, max.1000.00
Cp,gas 493.65 J/mol×K 273.00 Calculated Property
Cp,gas 598.16 J/mol×K 353.78 Calculated Property
Cp,gas 692.45 J/mol×K 434.56 Calculated Property
Cp,gas 776.74 J/mol×K 515.33 Calculated Property
Cp,gas 851.26 J/mol×K 596.11 Calculated Property
Cp,gas 916.23 J/mol×K 676.89 Calculated Property
Cp,gas 971.88 J/mol×K 757.67 Calculated Property
Cp,gas 1018.41 J/mol×K 838.44 Calculated Property
Cp,gas 1056.06 J/mol×K 919.22 Calculated Property
Cp,gas 1085.05 J/mol×K 1000.00 Calculated Property
Property Value Unit Temperature (K) Source
η [0.0004879; 0.0000256] Pa×s [486.90; 760.37] Joback Predicted correlation Show Hide
EquationY = exp(A + B/T + C·ln(T) + D·T^E)
Y is η in Pa×s, T in K
Coefficient A-1.58263e+01
Coefficient B3.99306e+03
Coefficient C0.00000e+00
Coefficient D0.00000e+00
Coefficient E0.00000e+00
CommentLiquid phase. Joback/Reid (1987), valid from Tf to 0.7·Tc.
Temperature range, min.486.90
Temperature range, max.760.37
η 0.0004879 Pa×s 486.90 Calculated Property
η 0.0003014 Pa×s 517.29 Calculated Property
η 0.0001964 Pa×s 547.67 Calculated Property
η 0.0001339 Pa×s 578.06 Calculated Property
η 0.0000948 Pa×s 608.44 Calculated Property
η 0.0000694 Pa×s 638.83 Calculated Property
η 0.0000522 Pa×s 669.21 Calculated Property
η 0.0000403 Pa×s 699.60 Calculated Property
η 0.0000318 Pa×s 729.98 Calculated Property
η 0.0000256 Pa×s 760.37 Calculated Property

Similar Compounds

1,2,3-Propanetricarboxylic acid, 2-acetoxy-, tri(4-methylpentyl) ester. Stearic acid, triethylcitrate ester. 1,2,3-Propanetricarboxylic acid, 2-acetoxy-, tri-(2-methylpentyl) ester. O-Acetylcitric acid triethyl ester. ACETYL TRIS(2-ETHYLHEXYL)CITRATE. Butyl citrate. TRIPENTYL CITRATE. 1,2,3-Propanetricarboxylic acid, 2-hydroxy-, trihexyl ester. 1,2,3-Propanetricarboxylic acid, 2-hydroxy-, tripropyl ester. Cyclohexanecarboxylic acid, 1,3,4,5-tetrahydroxy-, gamma-lactone, triacetate. Cyclohexanecarboxylic acid, 1,3-dihydroxy-4,5-(isopropylidenedioxy)-, gamma-lactone, 1-acetate. 3-Deoxy-2C-(hydroxymethyl)erithro-pentonic acid lactone, TMS. 3-Deoxy-2C-(hydroxymethyl)threo-pentonic acid lactone, TMS. Triethyl citrate. 1,3,4,5-Tetrahydroxycyclohexanecarboxylic acid, gamma-lactone.

Find more compounds similar to Tributyl acetylcitrate.

Sources

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