Chemical Properties of GLYCEROL TRICAPRYLATE

GLYCEROL TRICAPRYLATE

InChI
InChI=1S/C27H50O6/c1-4-7-10-13-16-19-25(28)31-22-24(33-27(30)21-18-15-12-9-6-3)23-32-26(29)20-17-14-11-8-5-2/h24H,4-23H2,1-3H3
InChI Key
VLPFTAMPNXLGLX-UHFFFAOYSA-N
Formula
C27H50O6
SMILES
CCCCCCCC(=O)OCC(COC(=O)CCCCCCC)OC(=O)CCCCCCC
Molecular Weight1
470.69
Other Names
  • 1,2,3-propanetriol trioctanoate
  • Caprylic acid triglyceride
  • Caprylic triglyceride
  • Caprylin
  • Captex 8000
  • Emalex KTG
  • Glycerin tricaprylate
  • Glycerol trioctanoate
  • Maceight
  • Miglyol 808
  • NSC 4059
  • Octanoic acid triglyceride
  • Octanoic acid, 1,1',1''-(1,2,3-propanetriyl) ester
  • Octanoic acid, 1,2,3-propanetriyl ester
  • Octanoin, tri-
  • Panacete 800
  • RATO
  • Sefsol 810
  • Tricaprylic Glyceride
  • Tricapryloylglycerol
  • Tricaprylyl glycerin
  • Trioctanoylglycerol
  • glyceryl tricaprylate
  • glyceryl trioctanoate
  • tricaprilin
  • tricaprylin
  • trioctanoin
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Physical Properties

Property Value Unit Source
ω 1.2174 ChemSep v8.3 pure component data Compiled value
ΔcH°solid -15259.00 ± 1.80 kJ/mol NIST
ΔfG° -914.70 kJ/mol ChemSep v8.3 pure component data Compiled value
ΔfH°gas -1557.73 kJ/mol ChemSep v8.3 pure component data Compiled value
ΔfusH° 75.27 kJ/mol Joback Calculated Property
ΔvapH° 135.40 ± 4.70 kJ/mol NIST
IE 9.61 eV Relay (1.0) Calculated Property
log10WS -6.52 Relay (1.0) Calculated Property
logPoct/wat 7.066 Crippen Calculated Property
McVol 413.610 ml/mol McGowan Calculated Property
Pc 593.20 kPa ChemSep v8.3 pure component data Compiled value
Inp 2958.00 NIST
Tboil 737.50 K ChemSep v8.3 pure component data Compiled value
Tc [836.00; 850.70] K Show Hide
Tc 836.00 K Critical properties, heat capacities, and thermal diffusivities of four saturated triglycerides
Tc 850.70 K ChemSep v8.3 pure component data Compiled value
Tfus [283.05; 283.15] K Show Hide
Tfus 283.15 K Jean-Claude Bradley Open Melting Point Dataset (2014, CC0) Compiled value
Tfus 283.05 K ChemSep v8.3 pure component data Compiled value
Ttriple 283.05 K ChemSep v8.3 pure component data Compiled value
UQi 16.21 ChemSep v8.3 pure component data Compiled value
URi 19.64 ChemSep v8.3 pure component data Compiled value
Vc 2.210 m3/kmol ChemSep v8.3 pure component data Compiled value
Zc 0.1853460 ChemSep v8.3 pure component data Compiled value

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,liquid 920.00 J/mol×K 338.00 NIST
ΔvapH [116.00; 118.70] kJ/mol [386.00; 424.50] Show Hide
ΔvapH 118.70 kJ/mol 386.00 NIST
ΔvapH 116.00 kJ/mol 424.50 NIST

Datasets

Mass density, kg/m3

Fixed Measured
Temperature, K - Liquid Pressure, kPa - Liquid Mass density, kg/m3 - Liquid
293.15 102.00 952.7
298.15 102.00 948.9
303.15 102.00 944.9
313.15 102.00 937.4
333.15 102.00 922.5
353.15 102.00 907.7
298.15 120.00 949.9
298.15 9830.00 955.5
298.15 20100.00 961.3
298.15 30020.00 966.6
298.15 40050.00 971.9
298.15 50040.00 977.1
Reference

Correlations

Property Value Unit Temperature (K) Source
Cp,gas [542.84; 1609.98] 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 A2.81981e+02
Coefficient B-5.00000e+02
Coefficient C7.52476e+00
Coefficient D0.00000e+00
Coefficient E0.00000e+00
Temperature range, min.255.00
Temperature range, max.1500.00
Cp,gas 542.84 J/mol×K 255.00 Calculated Property
Cp,gas 801.85 J/mol×K 393.33 Calculated Property
Cp,gas 1005.64 J/mol×K 531.67 Calculated Property
Cp,gas 1160.73 J/mol×K 670.00 Calculated Property
Cp,gas 1280.44 J/mol×K 808.33 Calculated Property
Cp,gas 1374.89 J/mol×K 946.67 Calculated Property
Cp,gas 1451.02 J/mol×K 1085.00 Calculated Property
Cp,gas 1513.55 J/mol×K 1223.33 Calculated Property
Cp,gas 1565.77 J/mol×K 1361.67 Calculated Property
Cp,gas 1609.98 J/mol×K 1500.00 Calculated Property
Property Value Unit Temperature (K) Source
η [0.0447753; 0.0002222] Pa×s [277.00; 737.50] 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-5.04980e+01
Coefficient B4.70300e+03
Coefficient C5.40780e+00
Coefficient D0.00000e+00
Coefficient E0.00000e+00
Temperature range, min.277.00
Temperature range, max.737.50
η 0.0447753 Pa×s 277.00 Calculated Property
η 0.0079335 Pa×s 328.17 Calculated Property
η 0.0025133 Pa×s 379.33 Calculated Property
η 0.0011414 Pa×s 430.50 Calculated Property
η 0.0006565 Pa×s 481.67 Calculated Property
η 0.0004437 Pa×s 532.83 Calculated Property
η 0.0003362 Pa×s 584.00 Calculated Property
η 0.0002768 Pa×s 635.17 Calculated Property
η 0.0002423 Pa×s 686.33 Calculated Property
η 0.0002222 Pa×s 737.50 Calculated Property
Property Value Unit Temperature (K) Source
Pvap [3.28e-11; 587.34] kPa [283.00; 850.00] 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 A1.31561e+02
Coefficient B-1.97698e+04
Coefficient C-1.52062e+01
Coefficient D1.70320e-18
Coefficient E6.00000e+00
Temperature range, min.283.00
Temperature range, max.850.00
Pvap 3.28e-11 kPa 283.00 Calculated Property
Pvap 5.17e-07 kPa 346.00 Calculated Property
Pvap 2.71e-04 kPa 409.00 Calculated Property
Pvap 0.02 kPa 472.00 Calculated Property
Pvap 0.41 kPa 535.00 Calculated Property
Pvap 3.88 kPa 598.00 Calculated Property
Pvap 21.10 kPa 661.00 Calculated Property
Pvap 79.09 kPa 724.00 Calculated Property
Pvap 232.07 kPa 787.00 Calculated Property
Pvap 587.34 kPa 850.00 Calculated Property
Property Value Unit Temperature (K) Source
ρl [960.62; 212.65] kg/m3 [283.05; 850.70] 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 A3.94747e+01
Coefficient B1.85630e-01
Coefficient C8.50700e+02
Coefficient D2.72990e-01
Temperature range, min.283.05
Temperature range, max.850.70
ρl 960.62 kg/m3 283.05 Calculated Property
ρl 915.86 kg/m3 346.12 Calculated Property
ρl 869.22 kg/m3 409.19 Calculated Property
ρl 820.23 kg/m3 472.27 Calculated Property
ρl 768.19 kg/m3 535.34 Calculated Property
ρl 712.04 kg/m3 598.41 Calculated Property
ρl 649.92 kg/m3 661.48 Calculated Property
ρl 578.13 kg/m3 724.56 Calculated Property
ρl 486.57 kg/m3 787.63 Calculated Property
ρl 212.65 kg/m3 850.70 Calculated Property

Similar Compounds

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

Find more compounds similar to GLYCEROL TRICAPRYLATE.

Mixtures

Sources

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