Chemical Properties of Thymol blue (CAS 76-61-9)

Thymol blue

PDF Excel Molecule Calculator
InChI
InChI=1S/C27H30O5S/c1-15(2)19-13-22(17(5)11-24(19)28)27(21-9-7-8-10-26(21)33(30,31)32-27)23-14-20(16(3)4)25(29)12-18(23)6/h7-16,28-29H,1-6H3
InChI Key
PRZSXZWFJHEZBJ-UHFFFAOYSA-N
Formula
C27H30O5S
SMILES
Cc1cc(O)c(C(C)C)cc1C1(c2cc(C(C)C)c(O)cc2C)OS(=O)(=O)c2ccccc21
Molecular Weight1
466.59
CAS
76-61-9
Other Names
  • Phenol, 4,4'-(3H-2,1-benzoxathiol-3-ylidene)bis[5-methyl-2-(1-methylethyl)-, S,S-dioxide
  • Thymol, 6,6'-(3H-2,1-benzoxathiol-3-ylidene)di-, S,S-dioxide
  • Thymolsulfonephthalein
  • Thymolsulfophthalein
  • Thymolsulphonphthalein
  • Thymosulfonphthalein
  • Thymolsulfonephalein
Cheméo is a service of Céondo GmbH, since 2007, we provide simulation, modelling and software development services for the industry. Do not hesitate to contact us for your projects.

Physical Properties

Property Value Unit Source
Δf -341.24 kJ/mol Joback Calculated Property
Δfgas -807.47 kJ/mol Joback Calculated Property
Δfus 61.10 kJ/mol Joback Calculated Property
Δvap 131.99 kJ/mol Joback Calculated Property
log10WS -7.12 Crippen Calculated Property
logPoct/wat 5.972 Crippen Calculated Property
McVol 354.850 ml/mol McGowan Calculated Property
Pc 1923.67 kPa Joback Calculated Property
Tboil 1143.22 K Joback Calculated Property
Tc 1406.68 K Joback Calculated Property
Tfus 885.37 K Joback Calculated Property
Vc 1.238 m3/kmol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas [1256.89; 1504.79] J/mol×K [1143.22; 1406.68] Show Hide
Cp,gas 1256.89 J/mol×K 1143.22 Joback Calculated Property
Cp,gas 1289.84 J/mol×K 1187.13 Joback Calculated Property
Cp,gas 1325.53 J/mol×K 1231.04 Joback Calculated Property
Cp,gas 1364.42 J/mol×K 1274.95 Joback Calculated Property
Cp,gas 1406.96 J/mol×K 1318.86 Joback Calculated Property
Cp,gas 1453.60 J/mol×K 1362.77 Joback Calculated Property
Cp,gas 1504.79 J/mol×K 1406.68 Joback Calculated Property

Similar Compounds

Vobassan-17-oic acid, 4-demethyl-3-oxo-, methyl ester. cyclomegistine. Tinctorine. Thymidine, 3'-O-cyclotetramethylene-isopropylsilyl, 5'-O-acetyl. Thymidine, 3'-O-cyclotetramethylene-tertbutylsilyl, 5'-O-acetyl. Sophoramine. azadirachtin. 3',5'-Diacetylthymidine. 2-Amino-2-phenylethanol, ferrocenylboronate. Codeine-propionyl. Ajmaline. Galantamin. 5'-S-Methyl-5'-thioadenosine, N,O,O'-tris(trifluoroacetyl)-. 3-propionyl-morphine. Brucine.

Find more compounds similar to Thymol blue.

Sources

Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more. Take the time to validate and double check the source of the data.