Chemical Properties of 1,5-Pentanediol, O,O'-di(2,6-difluoro-3-methylbenzoyl)-

1,5-Pentanediol, O,O'-di(2,6-difluoro-3-methylbenzoyl)-

InChI
InChI=1S/C21H20F4O4/c1-12-6-8-14(22)16(18(12)24)20(26)28-10-4-3-5-11-29-21(27)17-15(23)9-7-13(2)19(17)25/h6-9H,3-5,10-11H2,1-2H3
InChI Key
KSRKAKSFYPUGAZ-UHFFFAOYSA-N
Formula
C21H20F4O4
SMILES
Cc1ccc(F)c(C(=O)OCCCCCOC(=O)c2c(F)ccc(C)c2F)c1F
Molecular Weight1
412.38
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Physical Properties

Property Value Unit Source
ΔfusH° 56.95 kJ/mol Joback Calculated Property
IE 8.73 eV Relay (1.0) Calculated Property
log10WS -6.85 Relay (1.0) Calculated Property
logPoct/wat 5.044 Crippen Calculated Property
McVol 281.190 ml/mol McGowan Calculated Property
Pc 1246.85 kPa Joback Calculated Property
Inp [2766.00; 2766.00]   Show Hide
Inp 2766.00 NIST
Inp 2766.00 NIST
Tboil 661.83 K Relay (1.0) Calculated Property
Tfus 340.62 K Relay (1.0) Calculated Property

Cheméo can also estimate Critical Temperature, Critical Volume, Enthalpy of formation at standard conditions, Enthalpy of vaporization at standard conditions, Standard Gibbs free energy of formation, Acentric Factor for this compound, but they fall outside the models' validated range, so they are not shown here. Open the prediction tool to compute them on demand.

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas [852.49; 909.32] J/mol×K [876.84; 1080.35] Show Hide
Cp,gas 852.49 J/mol×K 876.84 Joback Calculated Property
Cp,gas 864.93 J/mol×K 910.76 Joback Calculated Property
Cp,gas 876.17 J/mol×K 944.68 Joback Calculated Property
Cp,gas 886.21 J/mol×K 978.60 Joback Calculated Property
Cp,gas 895.08 J/mol×K 1012.52 Joback Calculated Property
Cp,gas 902.78 J/mol×K 1046.44 Joback Calculated Property
Cp,gas 909.32 J/mol×K 1080.35 Joback Calculated Property

Similar Compounds

2,6-Difluoro-3-methylbenzoic acid, pentyl ester. 2,6-Difluoro-3-methylbenzoic acid, hexyl ester. 2,6-Difluoro-3-methylbenzoic acid, heptyl ester. 2,6-Difluoro-3-methylbenzoic acid, octyl ester. 2,6-Difluoro-3-methylbenzoic acid, hexadecyl ester. 2,6-Difluoro-3-methylbenzoic acid, dodecyl ester. 2,6-Difluoro-3-methylbenzoic acid, undecyl ester. 2,6-Difluoro-3-methylbenzoic acid, eicosyl ester. 2,6-Difluoro-3-methylbenzoic acid, nonyl ester. 2,6-Difluoro-3-methylbenzoic acid, nonadecyl ester. 2,6-Difluoro-3-methylbenzoic acid, octadecyl ester. 2,6-Difluoro-3-methylbenzoic acid, tetradecyl ester. 2,6-Difluoro-3-methylbenzoic acid, decyl ester. 2,6-Difluoro-3-methylbenzoic acid, tridecyl ester. 2,6-Difluoro-3-methylbenzoic acid, heptadecyl ester.

Find more compounds similar to 1,5-Pentanediol, O,O'-di(2,6-difluoro-3-methylbenzoyl)-.

Sources

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