Chemical Properties of Febutol

Febutol

InChI
InChI=1S/C32H48O2S2/c1-19(2)28(35-20-15-22(29(3,4)5)26(33)23(16-20)30(6,7)8)36-21-17-24(31(9,10)11)27(34)25(18-21)32(12,13)14/h15-18,33-34H,1-14H3
InChI Key
IMLBXHMGSBYKDH-UHFFFAOYSA-N
Formula
C32H48O2S2
SMILES
CC(C)=C(Sc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1)Sc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1
Molecular Weight1
528.85
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Physical Properties

Property Value Unit Source
ΔfH°gas -427.49 kJ/mol Relay (1.0) Calculated Property
ΔfusH° 52.91 kJ/mol Joback Calculated Property
ΔvapH° 142.78 kJ/mol Relay (1.0) Calculated Property
IE 6.99 eV Relay (1.0) Calculated Property
logPoct/wat 10.424 Crippen Calculated Property
McVol 454.360 ml/mol McGowan Calculated Property
Inp [2010.00; 2010.00]   Show Hide
Inp 2010.00 NIST
Inp 2010.00 NIST
Tboil 686.24 K Relay (1.0) Calculated Property
Tfus 399.05 K Relay (1.0) Calculated Property

Cheméo can also estimate Critical Temperature, Critical Pressure, Critical Volume, Standard Gibbs free energy of formation, Acentric Factor, Log10 of Water solubility in mol/l for this compound, but they fall outside the models' validated range, so they are not shown here. Open the prediction tool to compute them on demand.

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas [1696.28; 2008.39] J/mol×K [1294.84; 1585.74] Show Hide
Cp,gas 1696.28 J/mol×K 1294.84 Joback Calculated Property
Cp,gas 1737.03 J/mol×K 1343.32 Joback Calculated Property
Cp,gas 1781.50 J/mol×K 1391.81 Joback Calculated Property
Cp,gas 1830.28 J/mol×K 1440.29 Joback Calculated Property
Cp,gas 1883.95 J/mol×K 1488.77 Joback Calculated Property
Cp,gas 1943.12 J/mol×K 1537.26 Joback Calculated Property
Cp,gas 2008.39 J/mol×K 1585.74 Joback Calculated Property

Similar Compounds

probucol. Phenol, 4,4'-thiobis[2-(1,1-dimethylethyl)-6-methyl-. 2H-1-Benzopyran-2-one, 4-hydroxy-3-(1,2,3,4-tetrahydro-1-naphthalenyl)-. cis-Totarol. 2-Phenanthrenol, 4b,5,6,7,8,8a,9,10-octahydro-4b,8,8-trimethyl-1-(1-methylethyl)-, (4bS-trans)-. Pentaerythritol tetrakis[3-(3',5'-di-tert-butyl-4'-hydroxyphenyl)propionate]. thiobis(ethane-2,1-diyl) bis(3-(3,5-di-tert-butyl-4-hydroxyphenyl)propanoate). P-cresol, 2,2'-methylene bis(6-(1,1,3,3-tetramethylbutyl))-. bromadiolone. 2,2'-Ethylidenebis(4,6-di-tert-butylphenol). Coumafuryl. 2H-1-Benzopyran-2-one, 3-[1-(4-chlorophenyl)-3-oxobutyl]-4-hydroxy-. ACENOCOUMAROL. Furo[3',4':6,7]naphtho[2,3-d]-1,3-dioxol-6(5aH)-one, 5,8,8a,9-tetrahydro-5-(3,4,5-trimethoxyphenyl)-, [5R-(5«alpha»,5a«beta»,8a«alpha»)]-. Phenol, 2,2'-methylenebis[6-(1,1-dimethylethyl)-4-ethyl-.

Find more compounds similar to Febutol.

Sources

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