Chemical Properties of 4-(3-hydroxy-but-1-enyl)-3,5,5-trimethylcyclohex-3-ene-1,2-diol

4-(3-hydroxy-but-1-enyl)-3,5,5-trimethylcyclohex-3-ene-1,2-diol

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InChI
InChI=1S/C13H22O3/c1-8(14)5-6-10-9(2)12(16)11(15)7-13(10,3)4/h5-6,8,11-12,14-16H,7H2,1-4H3/b6-5+
InChI Key
HODWUFMHAGVDJY-AATRIKPKSA-N
Formula
C13H22O3
SMILES
CC1=C(C=CC(C)O)C(C)(C)CC(O)C1O
Molecular Weight1
226.31
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Physical Properties

Property Value Unit Source
Δf -259.86 kJ/mol Joback Calculated Property
Δfgas -592.68 kJ/mol Joback Calculated Property
Δfus 26.49 kJ/mol Joback Calculated Property
Δvap 94.42 kJ/mol Joback Calculated Property
log10WS -2.75 Crippen Calculated Property
logPoct/wat 1.392 Crippen Calculated Property
McVol 192.180 ml/mol McGowan Calculated Property
Pc 2657.03 kPa Joback Calculated Property
Inp [1518.00; 1518.00]   Show Hide
Inp 1518.00 NIST
Inp 1518.00 NIST
Tboil 796.67 K Joback Calculated Property
Tc 986.11 K Joback Calculated Property
Tfus 447.25 K Joback Calculated Property
Vc 0.710 m3/kmol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas [603.10; 678.86] J/mol×K [796.67; 986.11] Show Hide
Cp,gas 603.10 J/mol×K 796.67 Joback Calculated Property
Cp,gas 616.26 J/mol×K 828.24 Joback Calculated Property
Cp,gas 629.10 J/mol×K 859.82 Joback Calculated Property
Cp,gas 641.70 J/mol×K 891.39 Joback Calculated Property
Cp,gas 654.14 J/mol×K 922.96 Joback Calculated Property
Cp,gas 666.50 J/mol×K 954.53 Joback Calculated Property
Cp,gas 678.86 J/mol×K 986.11 Joback Calculated Property

Similar Compounds

3-hydroxy-«beta»-ionol. Vomifoliol 2A, Gly, TFA. Vomifoliol 1A, Gly, TFA. Gelsemine. Uridine, 2'-O-TBDMS, 3',5'-bis-O-acetyl. Uridine, 2'-O-acetyl, 3',5'-bis-O-TBDMS. Tetrabenazine M (desmethyl-HO-), monoacetylated. Pumiline A. Axillarine. Mucronatinine. Uridine, 2'-O-TBDMS, 3'-O-acetyl, 5'-O-TBDMS. 1H-Indole-3-ethanol, 2-(5-ethenyl-1-azabicyclo[2.2.2]oct-2-yl)-, [1S-(1«alpha»,2«alpha»,4«alpha»,5«beta»)]-. Uridine, 2',3'-bis-O-acetyl, 5'-O-TBDMS. 3'-Deoxyguanosine, tris(trimethylsilyl) deriv.. 1-Methyl-6«alpha»,7«alpha»-dihydroxyestrone, TMS.

Find more compounds similar to 4-(3-hydroxy-but-1-enyl)-3,5,5-trimethylcyclohex-3-ene-1,2-diol.

Sources

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