Chemical Properties of 3-(2-Methoxyphenyl)propionic acid (CAS 6342-77-4)

3-(2-Methoxyphenyl)propionic acid

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InChI
InChI=1S/C10H12O3/c1-13-9-5-3-2-4-8(9)6-7-10(11)12/h2-5H,6-7H2,1H3,(H,11,12)
InChI Key
XSZSNLOPIWWFHS-UHFFFAOYSA-N
Formula
C10H12O3
SMILES
COc1ccccc1CCC(=O)O
Molecular Weight1
180.20
CAS
6342-77-4
Other Names
  • 2-Methoxyhydrocinnamic acid
  • 3-(o-Methoxyphenyl)propionic acid
  • Benzenepropanoic acid, 2-methoxy-
  • Benzenpropionic acid, 2-methoxy
  • o-Methoxyhydrocinnamic acid
Sources

Physical Properties

Property Value Unit Source
Δf -234.64 kJ/mol Joback Calculated Property
Δfgas -421.70 kJ/mol Joback Calculated Property
Δfus 22.18 kJ/mol Joback Calculated Property
Δsub 117.80 ± 1.40 kJ/mol NIST
Δvap 66.63 kJ/mol Joback Calculated Property
logPoct/wat 1.71 Crippen Calculated Property
Pc 3364.54 kPa Joback Calculated Property
Tboil 628.33 K Joback Calculated Property
Tc 827.77 K Joback Calculated Property
Tfus 374.38 K Joback Calculated Property
Vc 0.53 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 350.22 J/mol×K 628.33 Joback Calculated Property
η 0.00 Pa×s 628.33 Joback Calculated Property
ΔfusH 25.33 kJ/mol 360.5 NIST
ΔsubH 116.00 ± 0.40 kJ/mol 339.0 NIST

Molecular Descriptors

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

Similar Compounds

3-(O-methoxy phenyl)-1-propanol. Benzenepropanoic acid, 2,5-dimethoxy-. 2-Methoxyphenylpropionic acid, trimethylsilyl ester. 2-Propylphenol, methyl ether. Anisole, 2-butyl. 2H-1-Benzopyran, 3,4-dihydro-. 2H-1-Benzopyran-2-one, 3,4-dihydro-. Formic acid, 2-propylphenyl ester. Benzene, 1,3-dimethoxy-2-propyl. Ethyl 3-(2-hydroxyphenyl)propanoate. 2-Methoxyphenylacetone. 3-Phenylpropionic acid, 2-propylphenyl ester. Propyl 3-(2-hydroxyphenyl)propanoate. 2-Amino-1-(o-methoxyphenyl)propane. o-(sec-Butyl)anisole.

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