Chemical Properties of 3,5,5-Trimethylhexyl acetate (CAS 58430-94-7)

3,5,5-Trimethylhexyl acetate

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InChI
InChI=1S/C11H22O2/c1-9(8-11(3,4)5)6-7-13-10(2)12/h9H,6-8H2,1-5H3
InChI Key
DGKXDLCVQSQVBC-UHFFFAOYSA-N
Formula
C11H22O2
SMILES
CC(=O)OCCC(C)CC(C)(C)C
Molecular Weight1
186.29
CAS
58430-94-7
Other Names
  • 1-Hexanol, 3,5,5-trimethyl-, acetate
  • 3,5,5-Trimethyl-1-hexanol acetate
  • Acetic acid 3,5,5-trimethylhexyl ester
  • Isononyl acetate
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Physical Properties

Property Value Unit Source
Δf -191.78 kJ/mol Joback Calculated Property
Δfgas -529.20 kJ/mol Joback Calculated Property
Δfus 16.10 kJ/mol Joback Calculated Property
Δvap 47.55 kJ/mol Joback Calculated Property
log10WS -2.81 Crippen Calculated Property
logPoct/wat 3.012 Crippen Calculated Property
McVol 173.290 ml/mol McGowan Calculated Property
Pc 2064.24 kPa Joback Calculated Property
Inp [1162.00; 1180.00]   Show Hide
Inp 1162.00 NIST
Inp 1180.00 NIST
I 1430.00 NIST
Tboil 523.70 K Joback Calculated Property
Tc 707.84 K Joback Calculated Property
Tfus 273.31 K Joback Calculated Property
Vc 0.658 m3/kmol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas [418.38; 505.25] J/mol×K [523.70; 707.84] Show Hide
Cp,gas 418.38 J/mol×K 523.70 Joback Calculated Property
Cp,gas 434.70 J/mol×K 554.39 Joback Calculated Property
Cp,gas 450.26 J/mol×K 585.08 Joback Calculated Property
Cp,gas 465.08 J/mol×K 615.77 Joback Calculated Property
Cp,gas 479.16 J/mol×K 646.46 Joback Calculated Property
Cp,gas 492.55 J/mol×K 677.15 Joback Calculated Property
Cp,gas 505.25 J/mol×K 707.84 Joback Calculated Property
η [0.0001835; 0.0059930] Pa×s [273.31; 523.70] Show Hide
η 0.0059930 Pa×s 273.31 Joback Calculated Property
η 0.0022813 Pa×s 315.04 Joback Calculated Property
η 0.0010885 Pa×s 356.77 Joback Calculated Property
η 0.0006065 Pa×s 398.50 Joback Calculated Property
η 0.0003775 Pa×s 440.24 Joback Calculated Property
η 0.0002551 Pa×s 481.97 Joback Calculated Property
η 0.0001835 Pa×s 523.70 Joback Calculated Property

Correlations

Property Value Unit Temperature (K) Source
Pvap [1.33; 202.64] kPa [356.12; 529.46] The Yaw... Show Hide
Equationln(Pvp) = A + B/(T + C)
Coefficient A1.35503e+01
Coefficient B-3.77017e+03
Coefficient C-7.18520e+01
Temperature range, min.356.12
Temperature range, max.529.46
Pvap 1.33 kPa 356.12 Calculated Property
Pvap 3.09 kPa 375.38 Calculated Property
Pvap 6.49 kPa 394.64 Calculated Property
Pvap 12.53 kPa 413.90 Calculated Property
Pvap 22.55 kPa 433.16 Calculated Property
Pvap 38.23 kPa 452.42 Calculated Property
Pvap 61.61 kPa 471.68 Calculated Property
Pvap 95.03 kPa 490.94 Calculated Property
Pvap 141.10 kPa 510.20 Calculated Property
Pvap 202.64 kPa 529.46 Calculated Property

Similar Compounds

Acetic acid, 3,7,11,15-tetramethyl-hexadecyl ester. 3,7-Dimethyloctyl acetate. 3,7,11-Trimethyldodecylacetate. Cyclohexaneethanol, acetate. Acetic acid, 3-methylpentyl ester. Acetic acid, 3-(2-methoxyethyl)heptyl ester. Isooctyl acetate. Hexanoic acid, 3,5,5-trimethyl-, pentyl ester. Hexanoic acid, 3,5,5-trimethyl-, hexyl ester. Hexanoic acid, 3,5,5-trimethyl-, heptyl ester. isohexyl acetate. Pimelic acid, di(3,7-dimethyloctyl) ester. Hexanoic acid, 3,5,5-trimethyl-, hexadecyl ester. Hexanoic acid, 3,5,5-trimethyl-, heptadecyl ester. Hexanoic acid, 3,5,5-trimethyl-, dodecyl ester.

Find more compounds similar to 3,5,5-Trimethylhexyl acetate.

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