Chemical Properties of 1,3-Propanediol, bis(heptafluorobutyrate)

1,3-Propanediol, bis(heptafluorobutyrate)

InChI
InChI=1S/C11H6F14O4/c12-6(13,8(16,17)10(20,21)22)4(26)28-2-1-3-29-5(27)7(14,15)9(18,19)11(23,24)25/h1-3H2
InChI Key
GHMHMCMIEVQLKF-UHFFFAOYSA-N
Formula
C11H6F14O4
SMILES
O=C(OCCCOC(=O)C(F)(F)C(F)(F)C(F)(F)F)C(F)(F)C(F)(F)C(F)(F)F
Molecular Weight1
468.14
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° 31.62 kJ/mol Joback Calculated Property
logPoct/wat 4.129 Crippen Calculated Property
McVol 205.510 ml/mol McGowan Calculated Property
Inp [968.00; 968.00]   Show Hide
Inp 968.00 NIST
Inp 968.00 NIST
Tboil 454.12 K Relay (1.0) Calculated Property

Cheméo can also estimate Normal melting (fusion) point, 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, Ionization energy, 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 [586.33; 645.24] J/mol×K [538.12; 673.62] Show Hide
Cp,gas 586.33 J/mol×K 538.12 Joback Calculated Property
Cp,gas 598.02 J/mol×K 560.70 Joback Calculated Property
Cp,gas 608.91 J/mol×K 583.29 Joback Calculated Property
Cp,gas 619.04 J/mol×K 605.87 Joback Calculated Property
Cp,gas 628.45 J/mol×K 628.45 Joback Calculated Property
Cp,gas 637.17 J/mol×K 651.04 Joback Calculated Property
Cp,gas 645.24 J/mol×K 673.62 Joback Calculated Property

Similar Compounds

1,3-Propanediol, O-chlorodifluoroacetate-O'-heptafluorobutyrate-. 3-Ethoxy-1-propanol, heptafluorobutyrate. Heptafluorobutyric acid, propyl ester. 2,2,3,3,4,4,5,5,5-Nonafluoro-pentanoic acid propyl ester. Butyric acid, heptafluoro-, butyl ester. 2,2,3,3,4,4,5,5,6,6,6-Undecafluoro- hexanoic acid propyl ester. Propyl perfluoroheptanoate. Pentadecafluorooctanoic acid, propyl ester. Heptadecafluorononanoic acid, propyl ester. 3-Buten-1-ol, heptafluorobutyrate. Heptafluorobutyric acid, n-pentyl ester. Heptafluorobutyric acid, 2-methylpropyl ester. 2,2,3,3,4,4,5,5,5-Nonafluoro-pentanoic acid butyl ester. 3-Ethoxy-1-propanol, pentafluoropropionate. Butanoic acid, heptafluoro-, ethyl ester.

Find more compounds similar to 1,3-Propanediol, bis(heptafluorobutyrate).

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.