Chemical Properties of E-2-hexenyl benzoate (CAS 76841-70-8)

E-2-hexenyl benzoate

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InChI
InChI=1S/C13H16O2/c1-2-3-4-8-11-15-13(14)12-9-6-5-7-10-12/h4-10H,2-3,11H2,1H3/b8-4+
InChI Key
IRWNFSMZBFIURE-XBXARRHUSA-N
Formula
C13H16O2
SMILES
CCCC=CCOC(=O)c1ccccc1
Molecular Weight1
204.26
CAS
76841-70-8
Other Names
  • (2E)-2-Hexenyl benzoate
  • (E)-2-Hexen-1-ol, benzoate
  • (E)-2-Hexen-1-yl-benzoate
  • (E)-3-Hexen-1-yl-benzoate
  • 2-Hexen-1-ol, benzoate, trans
  • 3-Hexen-1-ol, benzoate, trans
  • trans-2-Hexenyl benzoate
Sources

Physical Properties

Property Value Unit Source
Δf 17.29 kJ/mol Joback Calculated Property
Δfgas -202.70 kJ/mol Joback Calculated Property
Δfus 26.46 kJ/mol Joback Calculated Property
Δvap 55.92 kJ/mol Joback Calculated Property
logPoct/wat 3.20 Crippen Calculated Property
Pc 2410.00 kPa Joback Calculated Property
Tboil 603.97 K Joback Calculated Property
Tc 815.36 K Joback Calculated Property
Tfus 329.77 K Joback Calculated Property
Vc 0.66 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 423.08 J/mol×K 603.97 Joback Calculated Property
η 0.00 Pa×s 603.97 Joback Calculated Property

Molecular Descriptors

Joback and Reid Groups
-O- (nonring) 1
>C=O (nonring) 1
=CH- (ring) 5
=C< (ring) 1
-CH2- 3
=CH- 2
-CH3 1

Similar Compounds

Pent-2-en-1-yl benzoate. (E)-2-Butenyl benzoate. 2-Buten-1-ol, 3-methyl-, benzoate. Benzoic acid, 2-propenyl ester. p-Toluic acid, undec-2-enyl ester. Geranyl benzoate. Benzoic acid, [(E,E)-3,7,11-trimethyl-2,6,10-dodecatrien-1-yl] ester. Terephthalic acid, di(but-2-enyl) ester. P-toluic acid, 3-methylbut-2-enyl ester. 3-Buten-2-ol, benzoate. 4-Chlorobenzoic acid, undec-2-enyl ester. 4-Ethylbenzoic acid, undec-2-enyl ester. 4-Bromobenzoic acid, undec-2-enyl ester. Benzoic acid, ethyl ester. 1,4-Benzenedicarboxylic acid, di-2-propenyl ester.

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