Chemical Properties of 2-Buten-1-ol, 3-methyl-, benzoate (CAS 5205-11-8)

2-Buten-1-ol, 3-methyl-, benzoate

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

InChI
InChI=1S/C12H14O2/c1-10(2)8-9-14-12(13)11-6-4-3-5-7-11/h3-8H,9H2,1-2H3
InChI Key
INVWRXWYYVMFQC-UHFFFAOYSA-N
Formula
C12H14O2
SMILES
CC(C)=CCOC(=O)c1ccccc1
Molecular Weight1
190.24
CAS
5205-11-8
Other Names
  • 3-Methyl-2-butenyl benzoate
  • Benzoic acid, 3-methyl-2-butenyl ester
  • Prenyl benzoate
Sources

Physical Properties

Property Value Unit Source
Δf 0.32 kJ/mol Joback Calculated Property
Δfgas -191.85 kJ/mol Joback Calculated Property
Δfus 22.56 kJ/mol Joback Calculated Property
Δvap 53.78 kJ/mol Joback Calculated Property
logPoct/wat 2.81 Crippen Calculated Property
Pc 2668.02 kPa Joback Calculated Property
Tboil 580.97 K Joback Calculated Property
Tc 799.81 K Joback Calculated Property
Tfus 304.54 K Joback Calculated Property
Vc 0.60 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 374.15 J/mol×K 580.97 Joback Calculated Property

Molecular Descriptors

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

Similar Compounds

(E)-2-Butenyl benzoate. P-toluic acid, 3-methylbut-2-enyl ester. Pent-2-en-1-yl benzoate. Benzoic acid, 2-propenyl ester. E-2-hexenyl benzoate. Terephthalic acid, di(but-2-enyl) ester. 4-Chlorobenzoic acid, 3-methylbut-2-enyl ester. 4-Bromobenzoic acid, 3-methylbut-2-enyl ester. 4-Ethylbenzoic acid, 3-methylbut-2-enyl ester. 4-Cyanobenzoic acid, 3-methyl-2-enyl ester. 4-Fluorobenzoic acid, 3-methylbut-2-enyl ester. Geranyl benzoate. Benzoic acid, ethyl ester. M-toluic acid, 3-methylbut-2-enyl ester. 1,4-Benzenedicarboxylic acid, di-2-propenyl ester.

Find more compounds similar to 2-Buten-1-ol, 3-methyl-, benzoate.

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.