Chemical Properties of 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)- (CAS 14101-61-2)

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)-

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InChI
InChI=1S/C28H42O2/c1-20(2)11-8-12-21(3)13-9-14-22(4)15-10-17-28(7)18-16-25-19-26(29)23(5)24(6)27(25)30-28/h11,13,15,19,29H,8-10,12,14,16-18H2,1-7H3/b21-13+,22-15+/t28-/m0/s1
InChI Key
OTXNTMVVOOBZCV-UXRPBPJUSA-N
Formula
C28H42O2
SMILES
CC(C)=CCCC(C)=CCCC(C)=CCCC1(C)CCc2cc(O)c(C)c(C)c2O1
Molecular Weight1
410.63
CAS
14101-61-2
Other Names
  • Gamma-Tocotrienol
  • (R)-2,7,8-Trimethyl-2-((3E,7E)-4,8,12-trimethyltrideca-3,7,11-trien-1-yl)chroman-6-ol
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Physical Properties

Property Value Unit Source
Δf 285.83 kJ/mol Joback Calculated Property
Δfgas -324.27 kJ/mol Joback Calculated Property
Δfus 61.32 kJ/mol Joback Calculated Property
Δvap 98.76 kJ/mol Joback Calculated Property
log10WS -9.58 Crippen Calculated Property
logPoct/wat 8.292 Crippen Calculated Property
McVol 369.600 ml/mol McGowan Calculated Property
Pc 1034.57 kPa Joback Calculated Property
Inp [3170.90; 3170.90]   Show Hide
Inp 3170.90 NIST
Inp 3170.90 NIST
Tboil 1012.60 K Joback Calculated Property
Tc 1244.99 K Joback Calculated Property
Tfus 588.79 K Joback Calculated Property
Vc 1.373 m3/kmol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas [1283.49; 1474.89] J/mol×K [1012.60; 1244.99] Show Hide
Cp,gas 1283.49 J/mol×K 1012.60 Joback Calculated Property
Cp,gas 1311.78 J/mol×K 1051.33 Joback Calculated Property
Cp,gas 1341.08 J/mol×K 1090.06 Joback Calculated Property
Cp,gas 1371.73 J/mol×K 1128.80 Joback Calculated Property
Cp,gas 1404.03 J/mol×K 1167.53 Joback Calculated Property
Cp,gas 1438.31 J/mol×K 1206.26 Joback Calculated Property
Cp,gas 1474.89 J/mol×K 1244.99 Joback Calculated Property

Similar Compounds

Tocotrienol, 7,8-dimethyl. Tocotrienol, 5,8-dimethyl. Oligandrol. 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)-. Tocotrienol, 5,7-dimethyl. Tocotrienol, 5,7,8-trimethyl. Tocotrienol, 5-methyl. Tocotrienol, 7-methyl. «gamma»-Tocopherol. Tocol, 7,8-dimethyl. Tocotrienol. (+)-«gamma»-Tocophero, O-trifluoroacetyl-. Desoxyaxillarine. Jacoline. Sceleratine.

Find more compounds similar to 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)-.

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