Chemical Properties of 1-Phenylethanol, heptafluorobutyrate (CAS 942606-93-1)

1-Phenylethanol, heptafluorobutyrate

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InChI
InChI=1S/C12H9F7O2/c1-7(8-5-3-2-4-6-8)21-9(20)10(13,14)11(15,16)12(17,18)19/h2-7H,1H3
InChI Key
KJGMUECEJSEERZ-UHFFFAOYSA-N
Formula
C12H9F7O2
SMILES
CC(OC(=O)C(F)(F)C(F)(F)C(F)(F)F)c1ccccc1
Molecular Weight1
318.19
CAS
942606-93-1
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Physical Properties

Property Value Unit Source
Δf -1428.94 kJ/mol Joback Calculated Property
Δfgas -1703.58 kJ/mol Joback Calculated Property
Δfus 19.46 kJ/mol Joback Calculated Property
Δvap 43.74 kJ/mol Joback Calculated Property
log10WS -4.56 Crippen Calculated Property
logPoct/wat 4.124 Crippen Calculated Property
McVol 176.010 ml/mol McGowan Calculated Property
Pc 1987.66 kPa Joback Calculated Property
Inp [1078.00; 1078.00]   Show Hide
Inp 1078.00 NIST
Inp 1078.00 NIST
Tboil 561.69 K Joback Calculated Property
Tc 741.78 K Joback Calculated Property
Tfus 319.97 K Joback Calculated Property
Vc 0.711 m3/kmol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas [461.49; 527.83] J/mol×K [561.69; 741.78] Show Hide
Cp,gas 461.49 J/mol×K 561.69 Joback Calculated Property
Cp,gas 474.82 J/mol×K 591.70 Joback Calculated Property
Cp,gas 487.17 J/mol×K 621.72 Joback Calculated Property
Cp,gas 498.59 J/mol×K 651.73 Joback Calculated Property
Cp,gas 509.13 J/mol×K 681.75 Joback Calculated Property
Cp,gas 518.86 J/mol×K 711.76 Joback Calculated Property
Cp,gas 527.83 J/mol×K 741.78 Joback Calculated Property

Similar Compounds

Propanoic acid, pentafluoro-, 1-phenylethyl ester. 2-Amino-1-phenylethanol, N,O-bis(heptafluorobutyryl)-. Benzenemethanol, «alpha»-methyl-, propanoate. 1-phenylethyl valerate. 2-Amino-1-phenylethanol, N,O-bis(pentafluoropropionyl)-. Glutaric acid, di(1-phenylethyl) ester. Glutaric acid, ethyl 1-phenylethyl ester. Glutaric acid, pentyl 1-phenylethyl ester. Glutaric acid, 1-phenylethyl propyl ester. Benzenemethanol, «alpha»-methyl-, acetate. Benzenemethanol, «alpha»-methyl-, acetate. Glutaric acid, heptyl 1-phenylethyl ester. Glutaric acid, hexyl 1-phenylethyl ester. Glutaric acid, butyl 1-phenylethyl ester. Sebacic acid, di(1-(4-fluorophenyl)ethyl) ester.

Find more compounds similar to 1-Phenylethanol, heptafluorobutyrate.

Sources

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