Chemical Properties of 3-Phenoxy-1-propanol, heptafluorobutyrate

3-Phenoxy-1-propanol, heptafluorobutyrate

InChI
InChI=1S/C13H11F7O3/c14-11(15,12(16,17)13(18,19)20)10(21)23-8-4-7-22-9-5-2-1-3-6-9/h1-3,5-6H,4,7-8H2
InChI Key
CRDWWTJCCILFGG-UHFFFAOYSA-N
Formula
C13H11F7O3
SMILES
O=C(OCCCOc1ccccc1)C(F)(F)C(F)(F)C(F)(F)F
Molecular Weight1
348.21
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Physical Properties

Property Value Unit Source
ΔfusH° 28.34 kJ/mol Joback Calculated Property
IE 9.13 eV Relay (1.0) Calculated Property
log10WS -4.93 Relay (1.0) Calculated Property
logPoct/wat 3.832 Crippen Calculated Property
McVol 195.970 ml/mol McGowan Calculated Property
Inp [1381.00; 1381.00]   Show Hide
Inp 1381.00 NIST
Inp 1381.00 NIST
Tboil 514.67 K Relay (1.0) Calculated Property
Tfus 270.68 K Relay (1.0) Calculated Property

Cheméo can also estimate Critical Temperature, Critical Pressure, 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 [530.72; 598.34] J/mol×K [589.56; 762.07] Show Hide
Cp,gas 530.72 J/mol×K 589.56 Joback Calculated Property
Cp,gas 544.16 J/mol×K 618.31 Joback Calculated Property
Cp,gas 556.67 J/mol×K 647.06 Joback Calculated Property
Cp,gas 568.30 J/mol×K 675.82 Joback Calculated Property
Cp,gas 579.09 J/mol×K 704.57 Joback Calculated Property
Cp,gas 589.09 J/mol×K 733.32 Joback Calculated Property
Cp,gas 598.34 J/mol×K 762.07 Joback Calculated Property

Similar Compounds

3-Phenoxypropyl 2,2,3,3,3-pentafluoropropanoate. 3-Phenoxypropyl 2,2,2-trifluoroacetate. 3-Phenoxypropyl acetate. 2-(2-Hydroxyethoxy)phenol, bis(heptafluorobutyrate). Succinic acid, 2,2,3,3,4,4,5,5-octafluoropentyl 3-methoxyphenyl ester. Butyl 2-phenoxybutyrate. Succinic acid, 2-isopropoxyphenyl 2,2,3,3,4,4,4-heptafluorobutyl ester. Hexyl 2-phenoxybutyrate. Succinic acid, 2,2,3,3,4,4,5,5-octafluoropentyl 2-isopropoxyphenyl ester. Succinic acid, 2,2,3,3,4,4,5,5-octafluoropentyl 3-chlorophenyl ester. Succinic acid, 2,2,3,3-tetrafluoropropyl 3-methoxyphenyl ester. Succinic acid, 2-methylphenyl 2,2,3,3,4,4,4-heptafluorobutyl ester. Glutaric acid, 2,2,3,3,4,4,5,5-octafluoropentyl 3-chlorophenyl ester. Succinic acid, 3-chlorophenyl 2,2,3,4,4,4-hexafluorobutyl ester. Succinic acid, 2,2,3,3,4,4,5,5-octafluoropentyl 2-methoxyphenyl ester.

Find more compounds similar to 3-Phenoxy-1-propanol, heptafluorobutyrate.

Sources

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