Chemical Properties of 4-HC(O)-C6H4-COOCH3 (CAS 1571-08-0)

4-HC(O)-C6H4-COOCH3

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InChI
InChI=1S/C9H8O3/c1-12-9(11)8-4-2-7(6-10)3-5-8/h2-6H,1H3
InChI Key
FEIOASZZURHTHB-UHFFFAOYSA-N
Formula
C9H8O3
SMILES
COC(=O)c1ccc(C=O)cc1
Molecular Weight1
164.16
CAS
1571-08-0
Other Names
  • 4-(Methoxycarbonyl)benzaldehyde
  • 4-Carbomethoxybenzaldehyde
  • 4-Carboxybenzaldehyde methyl ester
  • 4-Formylbenzoic acid methyl ester
  • 4-HC(O)-C6H4-COOCH3
  • Methyl 4-formylbenzoate
  • Methyl benzaldehyde-4-carboxylate
  • Methyl p-formylbenzoate
  • Methyl terephthalaldehydate
  • Methyl terephthaldehydate
  • NSC 28459
  • Terephthalaldehydic acid, methyl ester
  • p-Carbomethoxybenzaldehyde
  • p-Formylbenzoic acid methyl ester
  • p-Methoxycarbonylbenzaldehyde
Sources

Physical Properties

Property Value Unit Source
PAff 832.90 kJ/mol NIST
BasG 801.90 kJ/mol NIST
EA 1.16 ± 0.09 eV NIST
EA 1.05 ± 0.09 eV NIST
Δf -205.76 kJ/mol Joback Calculated Property
Δfgas -334.41 kJ/mol Joback Calculated Property
Δfus 17.79 kJ/mol Joback Calculated Property
Δvap 54.44 kJ/mol Joback Calculated Property
logPoct/wat 1.286 Crippen Calculated Property
Pc 3690.97 kPa Joback Calculated Property
Tboil 538.20 K NIST
Tc 782.61 K Joback Calculated Property
Tfus 344.29 K Joback Calculated Property
Vc 0.472 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 271.43 J/mol×K 561.93 Joback Calculated Property
η 0.0002674 Pa×s 561.93 Joback Calculated Property

Molecular Descriptors

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

Similar Compounds

1,4-Benzenedicarboxylic acid dimethyl ester. Benzoic acid, 4-methyl-, methyl ester. Diethyl p-phthalate. ETHYL 4-METHYLBENZOATE. Benzoic acid, 4-ethyl-, methyl ester. Benzoic acid, methyl ester. 1,4-Benzenedicarboxylic acid, di-2-propenyl ester. 4-Cyanobenzoic acid methyl ester. Dipropyl terephthalate. Benzoic acid, 4-formyl-. 1,4-Benzenedicarboxylic acid. Terephthalic acid, di(but-2-enyl) ester. 1,4-Benzenedicarboxylic acid, [4-(methoxycarbonyl)phenyl]methyl methyl ester. Benzoic acid, ethyl ester. Benzoic acid, 4-methyl-.

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