Tonalide

Tonalide
SMILES
CC1CC(C2=C(C1(C)C)C=C(C(=C2)C(=O)C)C)(C)C
CAS number
Formula
C18 H26 O1
Molecular weight
258.41g/mol
Melting point
not specified  tM/°C
Entropy of fusion
not specified  ΔfusS/J K-1 mol-1

Vapor pressure

t/°C PS/Pa PL/Pa log (PL/Pa) method and notes reference
25 0.0252 0.0472 -1.33 EPI Suite estimation

Water solubility

t/°C SWS/mol m-3 SWL/mol m-3 log (SWL/mol m-3) method and notes reference
not specified

Henry's law constant

t/°C H/Pa m3 mol-1 KAW log (KAW) method and notes reference
25 5.69E-3 -2.24 EPI Suite estimation

Octanol-water partition ratio

t/°C KOW log (KOW) method and notes reference
25 2.24E+6 6.35 EPI Suite estimation

Octanol-air partition ratio

t/°C KOA log (KOA) method and notes reference
25 8.81E+7 7.95 EPI Suite estimation

Half-life for degradation in air

t/°C half-life/day method and notes reference
25 0.6 EPI Suite estimation

Half-life for degradation in water

t/°C half-life/day method and notes reference
25 60 EPI Suite estimation

Half-life for degradation in soil

t/°C half-life/day method and notes reference
25 120 EPI Suite estimation

Half-life for degradation in sediment

t/°C half-life/day method and notes reference
25 542 EPI Suite estimation