Diisononylphthalate

Diisononylphthalate
SMILES
CC(CCOC(=O)c1ccccc1C(=O)OCCC(C)CC(C)(C)C)CC(C)(C)C
CAS number
20548-62-3
Formula
C26 H42 O4
Molecular weight
418.62g/mol
Melting point
-54  tM/°C reference 1
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 1.09E-4 4.28E-4 -3.37 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 8.51E-4 -3.07 EPI Suite estimation

Octanol-water partition ratio

t/°C KOW log (KOW) method and notes reference
25 1.41E+9 9.15 EPI Suite estimation
3.31E+9 9.52 SPARC 1

Octanol-air partition ratio

t/°C KOA log (KOA) method and notes reference
25 1.66E+12 12.2 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

References

1.
T.T. Bui et al., 2016