Chemical Properties of Benzoic acid, hept-3-yl ester

Benzoic acid, hept-3-yl ester

Download as PDF file Download as Excel file Download as 2D mole file Predict properties

InChI
InChI=1S/C14H20O2/c1-3-5-11-13(4-2)16-14(15)12-9-7-6-8-10-12/h6-10,13H,3-5,11H2,1-2H3
InChI Key
QBMDOZADPSFEBH-UHFFFAOYSA-N
Formula
C14H20O2
SMILES
CCCCC(CC)OC(=O)c1ccccc1
Molecular Weight1
220.31
Sources

Physical Properties

Property Value Unit Source
Δf -56.95 kJ/mol Joback Calculated Property
Δfgas -345.84 kJ/mol Joback Calculated Property
Δfus 25.32 kJ/mol Joback Calculated Property
Δvap 57.80 kJ/mol Joback Calculated Property
logPoct/wat 3.81 Crippen Calculated Property
Pc 2110.00 kPa Joback Calculated Property
Tboil 622.25 K Joback Calculated Property
Tc 826.14 K Joback Calculated Property
Tfus 331.12 K Joback Calculated Property
Vc 0.73 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 494.55 J/mol×K 622.25 Joback Calculated Property
η 0.00 Pa×s 622.25 Joback Calculated Property

Molecular Descriptors

Joback and Reid Groups
>CH- 1
-O- (nonring) 1
>C=O (nonring) 1
=CH- (ring) 5
=C< (ring) 1
-CH2- 4
-CH3 2

Similar Compounds

Benzoic acid, cyclohexyl ester. Benzoic acid, hex-2-yl ester. Benzoic acid, hex-3-yl ester. Benzoic acid, hept-2-yl ester. Benzoic acid, dec-2-yl ester. Terephthalic acid, heptyl-3 pentyl ester. Terephthalic acid, ethyl heptyl-3 ester. Terephthalic acid, butyl heptyl-3 ester. P-toluic acid, 4-pentadecyl ester. p-Toluic acid, 4-tetradecyl ester. p-Toluic acid, 3-tetradecyl ester. P-toluic acid, 3-tridecyl ester. p-Toluic acid, 4-tridecyl ester. P-toluic acid, 3-pentadecyl ester. P-toluic acid, 5-pentadecyl ester.

Find more compounds similar to Benzoic acid, hept-3-yl ester.

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.