Chemical Properties of Isoamyl salicylate (CAS 87-20-7)

Isoamyl salicylate

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InChI
InChI=1S/C12H16O3/c1-9(2)7-8-15-12(14)10-5-3-4-6-11(10)13/h3-6,9,13H,7-8H2,1-2H3
InChI Key
PMGCQNGBLMMXEW-UHFFFAOYSA-N
Formula
C12H16O3
SMILES
CC(C)CCOC(=O)c1ccccc1O
Molecular Weight1
208.25
CAS
87-20-7
Other Names
  • 3-Methylbutyl 2-hydroxybenzoate
  • 3-methylbutyl salicylate
  • 34377-38-3
  • Benzoic acid, 2-hydroxy-, 3-methylbutyl ester
  • Benzoic acid, o-hydroxy, 3-methylbutyl ester
  • Isoamyl o-hydroxybenzoate
  • Isoamylester kyseliny salicylove
  • Isopentyl salicylate
  • Isopentyl-2-hydroxyphenyl methanoate
  • NSC 7952
  • Orchidee
  • Salicylic acid, 3-methylbutyl ester
  • Salicylic acid, isopentyl ester
  • Sanfoin
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Physical Properties

Property Value Unit Source
Δf -228.41 kJ/mol Joback Calculated Property
Δfgas -481.87 kJ/mol Joback Calculated Property
Δfus 25.92 kJ/mol Joback Calculated Property
Δvap 66.36 kJ/mol Joback Calculated Property
log10WS -3.16 Aq. Sol...
logPoct/wat 2.595 Crippen Calculated Property
McVol 169.490 ml/mol McGowan Calculated Property
Pc 2966.57 kPa Joback Calculated Property
Inp [1505.70; 1556.00]   Show Hide
Inp 1515.00 NIST
Inp 1515.40 NIST
Inp 1556.00 NIST
Inp 1534.00 NIST
Inp 1505.70 NIST
Inp 1506.70 NIST
Inp 1535.00 NIST
Inp 1538.00 NIST
Inp 1542.00 NIST
Inp 1506.00 NIST
Inp 1509.00 NIST
Inp 1528.00 NIST
I [2021.00; 2037.10]   Show Hide
I 2032.90 NIST
I 2037.10 NIST
I 2035.00 NIST
I 2024.00 NIST
I 2021.00 NIST
Tboil 657.11 K Joback Calculated Property
Tc 877.01 K Joback Calculated Property
Tfus 420.30 K Joback Calculated Property
Vc 0.584 m3/kmol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas [448.59; 519.75] J/mol×K [657.11; 877.01] Show Hide
Cp,gas 448.59 J/mol×K 657.11 Joback Calculated Property
Cp,gas 462.38 J/mol×K 693.76 Joback Calculated Property
Cp,gas 475.31 J/mol×K 730.41 Joback Calculated Property
Cp,gas 487.44 J/mol×K 767.06 Joback Calculated Property
Cp,gas 498.85 J/mol×K 803.71 Joback Calculated Property
Cp,gas 509.60 J/mol×K 840.36 Joback Calculated Property
Cp,gas 519.75 J/mol×K 877.01 Joback Calculated Property
η [0.0000192; 0.0008293] Pa×s [420.30; 657.11] Show Hide
η 0.0008293 Pa×s 420.30 Joback Calculated Property
η 0.0003381 Pa×s 459.77 Joback Calculated Property
η 0.0001589 Pa×s 499.24 Joback Calculated Property
η 0.0000834 Pa×s 538.71 Joback Calculated Property
η 0.0000478 Pa×s 578.17 Joback Calculated Property
η 0.0000294 Pa×s 617.64 Joback Calculated Property
η 0.0000192 Pa×s 657.11 Joback Calculated Property
ΔvapH 73.00 kJ/mol 308.00 NIST

Pressure Dependent Properties

Property Value Unit Pressure (kPa) Source
Tboilr 424.70 K 2.00 NIST

Similar Compounds

Benzoic acid, 2-hydroxy-, butyl ester. Benzoic acid, 2-hydroxy-, pentyl ester. n-Hexyl salicylate. Benzoic acid, 3-hydroxy-, 3-methylbutyl ester. Benzoic acid, 2-hydroxy-, heptyl ester. Salicylic acid, n-octyl ester. Benzoic acid, 2-hydroxy-, 2-methylbutyl ester. Benzoic acid, 2-methoxy-, 3-methylbutyl ester. 2-Ethylhexyl salicylate. iso-Amyl-4-hydroxybenzoate. Benzoic acid, 2-hydroxy-, propyl ester. Benzoic acid, 3-methoxy-, 3-methylbutyl ester. Benzoic acid, 2-hydroxy-, 2-methylpropyl ester. Salicylic acid, 3-methylbutyl ether, 3-methylbutyl ester. Benzoic acid, 2-methoxy-, butyl ester.

Find more compounds similar to Isoamyl salicylate.

Sources

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