Chemical Properties of 2H-1-Benzopyran-6-ol, 3,4-dihydro-2,8-dimethyl-2-[(3E,7E)-4,8,12-trimethyl-3,7,11-tridecatrien-1-yl]-, (2R)- (CAS 25612-59-3)

2H-1-Benzopyran-6-ol, 3,4-dihydro-2,8-dimethyl-2-[(3E,7E)-4,8,12-trimethyl-3,7,11-tridecatrien-1-yl]-, (2R)-

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InChI
InChI=1S/C27H40O2/c1-20(2)10-7-11-21(3)12-8-13-22(4)14-9-16-27(6)17-15-24-19-25(28)18-23(5)26(24)29-27/h10,12,14,18-19,28H,7-9,11,13,15-17H2,1-6H3/b21-12+,22-14+/t27-/m0/s1
InChI Key
ODADKLYLWWCHNB-NDZYPVAJSA-N
Formula
C27H40O2
SMILES
CC(C)=CCCC(C)=CCCC(C)=CCCC1(C)CCc2cc(O)cc(C)c2O1
Molecular Weight1
396.61
CAS
25612-59-3
Other Names
  • Delta-Tocotrienol
  • Tocotrienol, 8-methyl
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Physical Properties

Property Value Unit Source
Δf 287.04 kJ/mol Joback Calculated Property
Δfgas -292.16 kJ/mol Joback Calculated Property
Δfus 59.12 kJ/mol Joback Calculated Property
Δvap 95.87 kJ/mol Joback Calculated Property
log10WS -9.10 Crippen Calculated Property
logPoct/wat 7.984 Crippen Calculated Property
McVol 355.510 ml/mol McGowan Calculated Property
Pc 1112.59 kPa Joback Calculated Property
Inp [2985.00; 3072.70]   Show Hide
Inp 3072.70 NIST
Inp 2985.00 NIST
Inp 3072.70 NIST
Inp 2985.00 NIST
Tboil 984.74 K Joback Calculated Property
Tc 1214.90 K Joback Calculated Property
Tfus 565.00 K Joback Calculated Property
Vc 1.317 m3/kmol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas [1215.39; 1394.38] J/mol×K [984.74; 1214.90] Show Hide
Cp,gas 1215.39 J/mol×K 984.74 Joback Calculated Property
Cp,gas 1242.04 J/mol×K 1023.10 Joback Calculated Property
Cp,gas 1269.54 J/mol×K 1061.46 Joback Calculated Property
Cp,gas 1298.21 J/mol×K 1099.82 Joback Calculated Property
Cp,gas 1328.37 J/mol×K 1138.18 Joback Calculated Property
Cp,gas 1360.32 J/mol×K 1176.54 Joback Calculated Property
Cp,gas 1394.38 J/mol×K 1214.90 Joback Calculated Property

Similar Compounds

Oligandrol. Tocotrienol, 7,8-dimethyl. 2H-1-Benzopyran-6-ol, 3,4-dihydro-2,7,8-trimethyl-2-[(3E,7E)-4,8,12-trimethyl-3,7,11-tridecatrien-1-yl]-, (2R)-. Tocotrienol, 5,8-dimethyl. Tocotrienol. Tocotrienol, 7-methyl. Tocotrienol, 5,7-dimethyl. Tocotrienol, 5-methyl. Tocotrienol, 5,7,8-trimethyl. Tocol, 8-methyl. «delta»-Tocopherol. «gamma»-Tocopherol. Tocol, 7,8-dimethyl. «gamma»-Tocopherol, trimethylsilyl ether. Tocopherol-«gamma»-tms-derivative (high mass adjustment=100%).

Find more compounds similar to 2H-1-Benzopyran-6-ol, 3,4-dihydro-2,8-dimethyl-2-[(3E,7E)-4,8,12-trimethyl-3,7,11-tridecatrien-1-yl]-, (2R)-.

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