Chemical Properties of 4-n-Propylphenol, pentafluorobenzoyl ester

4-n-Propylphenol, pentafluorobenzoyl ester

InChI
InChI=1S/C16H11F5O2/c1-2-3-8-4-6-9(7-5-8)23-16(22)10-11(17)13(19)15(21)14(20)12(10)18/h4-7H,2-3H2,1H3
InChI Key
QJXKWYVPCGLPQR-UHFFFAOYSA-N
Formula
C16H11F5O2
SMILES
CCCc1ccc(OC(=O)c2c(F)c(F)c(F)c(F)c2F)cc1
Molecular Weight1
330.25
Cheméo is a service of Céondo GmbH, since 2007, we provide simulation, modelling and software development services for the industry. Do not hesitate to contact us for your projects.

Physical Properties

Property Value Unit Source
ΔfusH° 42.71 kJ/mol Joback Calculated Property
IE 8.85 eV Relay (1.0) Calculated Property
logPoct/wat 4.554 Crippen Calculated Property
McVol 205.070 ml/mol McGowan Calculated Property
Inp [1770.20; 1776.60]   Show Hide
Inp 1770.20 NIST
Inp 1770.20 NIST
Inp 1773.20 NIST
Inp 1776.60 NIST
Tboil 583.90 K Relay (1.0) Calculated Property
Tfus 299.10 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, Log10 of Water solubility in mol/l 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 [548.42; 610.70] J/mol×K [703.49; 896.76] Show Hide
Cp,gas 548.42 J/mol×K 703.49 Joback Calculated Property
Cp,gas 560.74 J/mol×K 735.70 Joback Calculated Property
Cp,gas 572.27 J/mol×K 767.91 Joback Calculated Property
Cp,gas 583.02 J/mol×K 800.13 Joback Calculated Property
Cp,gas 593.00 J/mol×K 832.34 Joback Calculated Property
Cp,gas 602.22 J/mol×K 864.55 Joback Calculated Property
Cp,gas 610.70 J/mol×K 896.76 Joback Calculated Property

Similar Compounds

4-n-Butylphenol, pentafluorobenzoyl ester. 4-n-Pentylphenol, pentafluorobenzoyl ester. 3-n-Propylphenol, pentafluorobenzoyl ester. 4-n-Octylphenol, pentafluorobenzoyl ester. 4-n-Nonylphenol, pentafluorobenzoyl ester. 4-n-Heptylphenol, pentafluorobenzoyl ester. 4-n-Hexylphenol, pentafluorobenzoyl ester. 4-Ethylphenol, pentafluorobenzoyl ester. 4-sec-Butylphenol, pentafluorobenzoyl ester. Pentafluorobenzoic acid, 2-propylphenyl ester. 4-Isopropylphenol, pentafluorobenzoyl ester. Pentafluorobenzoic acid, 3-ethylphenyl ester. 4(1,2,2-Trimethylpropyl)phenol, pentafluorobenzoyl ester. 3-Methyl-4-isopropylphenol, pentafluorobenzoyl ester. 3-Isopropylphenol, pentafluorobenzoyl ester.

Find more compounds similar to 4-n-Propylphenol, pentafluorobenzoyl ester.

Sources

Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more. Take the time to validate and double check the source of the data.
These property values are available through the Cheméo API. A free account gives you an access key.