Chemical Properties of Tristearin (CAS 555-43-1)

Tristearin

InChI
InChI=1S/C57H110O6/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-55(58)61-52-54(63-57(60)51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)53-62-56(59)50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h54H,4-53H2,1-3H3
InChI Key
DCXXMTOCNZCJGO-UHFFFAOYSA-N
Formula
C57H110O6
SMILES
CCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCC
Molecular Weight1
891.48
CAS
555-43-1
Other Names
  • 1,2,3-Propanetriyl trioctadecanoate
  • 1,2,3-propanetriyl tri(octadecanoate)
  • Dynasan 118
  • Glycowax S 932
  • Hardened oil
  • Octadecanoic acid, 1,1',1''-(1,2,3-propanetriyl) ester
  • Spezialfett 118
  • Stearic triglyceride
  • Stearin
  • Stearoyl triglyceride
  • Trioctadecanoin
  • glycerol trioctadecanoate
  • glycerol tristearate
  • glyceryl tristearate
  • octadecanoic acid, 1,2,3-propanetriyl ester
  • stearic acid triglyceride
  • stearic acid triglycerin ester
  • stearin, tri-
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Physical Properties

Property Value Unit Source
ω 2.0894 ChemSep v8.3 pure component data Compiled value
ΔcH°solid -35806.70 ± 1.80 kJ/mol NIST
ΔfG° -657.59 kJ/mol ChemSep v8.3 pure component data Compiled value
ΔfH°gas -2176.93 kJ/mol ChemSep v8.3 pure component data Compiled value
ΔfusH° [115.71; 197.55] kJ/mol Show Hide
ΔfusH° 115.71 kJ/mol Measurement and modelling of binary (solid + liquid + vapour) equilibria involving lipids and CO2
ΔfusH° 197.55 kJ/mol Thermal Properties of Tristearin by Adiabatic and Differential Scanning Calorimetry
ΔvapH° 236.20 ± 8.30 kJ/mol NIST
IE 10.59 eV Relay (1.0) Calculated Property
log10WS -15.24 Relay (1.0) Calculated Property
logPoct/wat 18.769 Crippen Calculated Property
McVol 836.310 ml/mol McGowan Calculated Property
Pc 197.70 kPa ChemSep v8.3 pure component data Compiled value
S°liquid 1534.70 J/mol×K NIST
Tboil 898.30 K ChemSep v8.3 pure component data Compiled value
Tc 936.00 K ChemSep v8.3 pure component data Compiled value
Tfus [328.15; 346.60] K Show Hide
Tfus 346.60 K Solid Liquid Equilibria in the Binary Systems of Saturated Fatty Acids or Triglycerides (C12 to C18) + Hexadecane
Tfus 345.75 K Solid Liquid Equilibrium of Binary Mixtures Containing Fatty Acids and Triacylglycerols
Tfus 328.15 K Jean-Claude Bradley Open Melting Point Dataset (2014, CC0) Compiled value
Tfus 346.00 K ChemSep v8.3 pure component data Compiled value
Tfus 344.60 ± 2.00 K NIST
Tfus 330.00 ± 1.00 K NIST
Ttriple [327.20; 346.30] K Show Hide
Ttriple 345.94 K ChemSep v8.3 pure component data Compiled value
Ttriple 336.70 ± 1.00 K NIST
Ttriple 346.30 ± 1.00 K NIST
Ttriple 328.30 ± 1.00 K NIST
Ttriple 327.20 ± 0.20 K NIST
Ttriple 345.70 ± 0.20 K NIST
Ttriple 327.20 ± 0.20 K NIST
Ttriple 345.70 ± 0.20 K NIST
UQi 32.41 ChemSep v8.3 pure component data Compiled value
URi 39.88 ChemSep v8.3 pure component data Compiled value
Vc 5.710 m3/kmol ChemSep v8.3 pure component data Compiled value
Zc 0.1450550 ChemSep v8.3 pure component data Compiled value

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,liquid [1969.00; 1975.00] J/mol×K [346.50; 353.00] Show Hide
Cp,liquid 1969.00 J/mol×K 346.50 NIST
Cp,liquid 1975.00 J/mol×K 353.00 NIST
ΔfusH [203.26; 203.26] kJ/mol [345.70; 345.70] Show Hide
ΔfusH 203.26 kJ/mol 345.70 NIST
ΔfusH 203.26 kJ/mol 345.70 NIST
ΔvapH [167.50; 174.90] kJ/mol [506.00; 554.50] Show Hide
ΔvapH 174.90 kJ/mol 506.00 NIST
ΔvapH 167.50 kJ/mol 554.50 NIST

Correlations

Property Value Unit Temperature (K) Source
Cp,gas [1096.11; 3317.72] J/mol×K [255.00; 1500.00] ChemSep v8.3 pure component data Compiled value Show Hide
EquationY = A + exp(B/T + C + D·T + E·T²)
Y is Cp,gas in J/mol×K, T in K
Coefficient A5.53040e+02
Coefficient B-5.00000e+02
Coefficient C8.25801e+00
Coefficient D0.00000e+00
Coefficient E0.00000e+00
Temperature range, min.255.00
Temperature range, max.1500.00
Cp,gas 1096.11 J/mol×K 255.00 Calculated Property
Cp,gas 1635.32 J/mol×K 393.33 Calculated Property
Cp,gas 2059.59 J/mol×K 531.67 Calculated Property
Cp,gas 2382.45 J/mol×K 670.00 Calculated Property
Cp,gas 2631.66 J/mol×K 808.33 Calculated Property
Cp,gas 2828.29 J/mol×K 946.67 Calculated Property
Cp,gas 2986.78 J/mol×K 1085.00 Calculated Property
Cp,gas 3116.97 J/mol×K 1223.33 Calculated Property
Cp,gas 3225.67 J/mol×K 1361.67 Calculated Property
Cp,gas 3317.72 J/mol×K 1500.00 Calculated Property
Property Value Unit Temperature (K) Source
η [0.0169967; 0.0004890] Pa×s [345.94; 898.30] ChemSep v8.3 pure component data Compiled value Show Hide
EquationY = exp(A + B/T + C·ln(T) + D·T^E)
Y is η in Pa×s, T in K
Coefficient A-5.85260e+01
Coefficient B5.52890e+03
Coefficient C6.58010e+00
Coefficient D0.00000e+00
Coefficient E0.00000e+00
Temperature range, min.345.94
Temperature range, max.898.30
η 0.0169967 Pa×s 345.94 Calculated Property
η 0.0044794 Pa×s 407.31 Calculated Property
η 0.0019070 Pa×s 468.69 Calculated Property
η 0.0010935 Pa×s 530.06 Calculated Property
η 0.0007618 Pa×s 591.43 Calculated Property
η 0.0006057 Pa×s 652.81 Calculated Property
η 0.0005284 Pa×s 714.18 Calculated Property
η 0.0004926 Pa×s 775.55 Calculated Property
η 0.0004820 Pa×s 836.93 Calculated Property
η 0.0004890 Pa×s 898.30 Calculated Property
Property Value Unit Temperature (K) Source
Pvap [2.00e-14; 197.73] kPa [346.00; 936.00] ChemSep v8.3 pure component data Compiled value Show Hide
EquationY = exp(A + B/T + C·ln(T) + D·T^E)
Y is Pvap in kPa, T in K
Coefficient A2.18881e+02
Coefficient B-3.39069e+04
Coefficient C-2.60721e+01
Coefficient D1.49642e-18
Coefficient E6.00000e+00
Temperature range, min.346.00
Temperature range, max.936.00
Pvap 2.00e-14 kPa 346.00 Calculated Property
Pvap 1.31e-09 kPa 411.56 Calculated Property
Pvap 2.32e-06 kPa 477.11 Calculated Property
Pvap 4.41e-04 kPa 542.67 Calculated Property
Pvap 0.02 kPa 608.22 Calculated Property
Pvap 0.33 kPa 673.78 Calculated Property
Pvap 2.82 kPa 739.33 Calculated Property
Pvap 15.20 kPa 804.89 Calculated Property
Pvap 60.13 kPa 870.44 Calculated Property
Pvap 197.73 kPa 936.00 Calculated Property
Property Value Unit Temperature (K) Source
ρl [871.83; 156.26] kg/m3 [340.00; 936.00] ChemSep v8.3 pure component data Compiled value Show Hide
EquationY = A / B^(1 + (1 − T/C)^D)
Y is ρl in kg/m3, T in K
Coefficient A2.26472e+01
Coefficient B1.44930e-01
Coefficient C9.36000e+02
Coefficient D2.58160e-01
Temperature range, min.340.00
Temperature range, max.936.00
ρl 871.83 kg/m3 340.00 Calculated Property
ρl 828.08 kg/m3 406.22 Calculated Property
ρl 782.58 kg/m3 472.44 Calculated Property
ρl 734.91 kg/m3 538.67 Calculated Property
ρl 684.41 kg/m3 604.89 Calculated Property
ρl 630.10 kg/m3 671.11 Calculated Property
ρl 570.25 kg/m3 737.33 Calculated Property
ρl 501.41 kg/m3 803.56 Calculated Property
ρl 414.22 kg/m3 869.78 Calculated Property
ρl 156.26 kg/m3 936.00 Calculated Property

Similar Compounds

Decanoic acid, 1,2,3-propanetriyl ester. Dodecanoic acid, 1,2,3-propanetriyl ester. 2-(Nonanoyloxy)propane-1,3-diyl dioctanoate. 2-(Decanoyloxy)propane-1,3-diyl dioctanoate. GLYCEROL TRICAPRYLATE. 1-(Nonanoyloxy)-3-(octanoyloxy)propan-2-yl decanoate. Triarachine. 2-(Heptanoyloxy)propane-1,3-diyl dioctanoate. Tetradecanoic acid, 1,2,3-propanetriyl ester. Docosanoic acid, 1,2,3-propanetriyl ester. 3-(Octanoyloxy)propane-1,2-diyl bis(decanoate). 2-(Octanoyloxy)propane-1,3-diyl bis(decanoate). Tripalmitin. Tricaproin. Octadecanoic acid, 2-(acetyloxy)-1-[(acetyloxy)methyl]ethyl ester.

Find more compounds similar to Tristearin.

Mixtures

Sources

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