Chemical Properties of «alpha»-Methylcinnamic acid (CAS 1199-77-5)

«alpha»-Methylcinnamic acid

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

InChI
InChI=1S/C10H10O2/c1-8(10(11)12)7-9-5-3-2-4-6-9/h2-7H,1H3,(H,11,12)/b8-7+
InChI Key
XNCRUNXWPDJHGV-BQYQJAHWSA-N
Formula
C10H10O2
SMILES
CC(=Cc1ccccc1)C(=O)O
Molecular Weight1
162.19
CAS
1199-77-5
Other Names
  • 2-Methyl-3-phenyl-2-propenoic acid
  • 2-Propenoic acid, 2-methyl-3-phenyl-
  • Cinnamic acid, «alpha»-methyl-
Sources

Physical Properties

Property Value Unit Source
Δf -48.34 kJ/mol Joback Calculated Property
Δfgas -170.58 kJ/mol Joback Calculated Property
Δfus 20.28 kJ/mol Joback Calculated Property
Δvap 63.59 kJ/mol Joback Calculated Property
logPoct/wat 2.17 Crippen Calculated Property
Pc 3740.80 kPa Joback Calculated Property
Tboil 604.97 K Joback Calculated Property
Tc 817.08 K Joback Calculated Property
Tfus 320.59 K Joback Calculated Property
Vc 0.49 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 306.62 J/mol×K 604.97 Joback Calculated Property
ΔvapH 78.50 kJ/mol 479.5 NIST

Molecular Descriptors

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

Similar Compounds

Propanedioic acid, (phenylmethylene)-. (2E)-2-ethyl-3-phenyl-2-propenoic acid. Benzylidenemalonaldehyde. Ammonium cinnamate. 2-Propenoic acid, 3-phenyl-. 2-Methyl-3-phenyl-2-propen-1-ol. (Z)-3-Phenyl-2-propenoic acid. trans-Cinnamic acid. P-hydroxybenzylidene malonic acid. 2-Propenal, 2-methyl-3-phenyl-. P-methylcinnamic acid. 2-Propenoic acid, 3-phenyl-, methyl ester. Methyl cis-cinnamate. 2-Propenoic acid, 3-phenyl-, methyl ester, (E)-. Cinnamic acid, sodium salt.

Find more compounds similar to «alpha»-Methylcinnamic acid.

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.