Chemical Properties of 3-CN-C6H4-COOCH3 (CAS 13531-48-1)

3-CN-C6H4-COOCH3

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InChI
InChI=1S/C9H7NO2/c1-12-9(11)8-4-2-3-7(5-8)6-10/h2-5H,1H3
InChI Key
XPBHWSMZTSSEJE-UHFFFAOYSA-N
Formula
C9H7NO2
SMILES
COC(=O)c1cccc(C#N)c1
Molecular Weight1
161.16
CAS
13531-48-1
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Physical Properties

Property Value Unit Source
PAff 817.40 kJ/mol NIST
BasG 786.50 kJ/mol NIST
EA 0.77 ± 0.09 eV NIST
Δf 26.94 kJ/mol Joback Calculated Property
Δfgas -83.95 kJ/mol Joback Calculated Property
Δfus 17.01 kJ/mol Joback Calculated Property
Δvap 58.20 kJ/mol Joback Calculated Property
log10WS -2.07 Crippen Calculated Property
logPoct/wat 1.345 Crippen Calculated Property
McVol 122.730 ml/mol McGowan Calculated Property
Pc 3284.05 kPa Joback Calculated Property
Tboil 615.35 K Joback Calculated Property
Tc 848.48 K Joback Calculated Property
Tfus 367.28 K Joback Calculated Property
Vc 0.481 m3/kmol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas [276.21; 325.78] J/mol×K [615.35; 848.48] Show Hide
Cp,gas 276.21 J/mol×K 615.35 Joback Calculated Property
Cp,gas 286.09 J/mol×K 654.20 Joback Calculated Property
Cp,gas 295.30 J/mol×K 693.06 Joback Calculated Property
Cp,gas 303.87 J/mol×K 731.91 Joback Calculated Property
Cp,gas 311.80 J/mol×K 770.77 Joback Calculated Property
Cp,gas 319.10 J/mol×K 809.62 Joback Calculated Property
Cp,gas 325.78 J/mol×K 848.48 Joback Calculated Property

Similar Compounds

1,3-Benzenedicarboxylic acid, dimethyl ester. 1,3-Benzenedicarboxylic acid, monomethyl ester. Benzoic acid, 3-cyano-. Benzoic acid, 4-cyano-, methyl ester. Benzoic acid, methyl ester. Benzoic acid, 3-methyl-, methyl ester. Methyl 3-trifluoromethylbenzoate. 1,3-Benzenedicarboxylic acid, diethyl ester. 1,2,4-Benzenetricarboxylic acid, trimethyl ester. Dimethyl phthalate. 1,3,5-Benzenetricarboxylic acid, trimethyl ester. 1,2,3-Benzenetricarboxylic acid, trimethyl ester. Isophthalic acid, di(2-chloroethyl) ester. Diallyl isophthalate. 1,4-Benzenedicarboxylic acid, dimethyl ester.

Find more compounds similar to 3-CN-C6H4-COOCH3.

Sources

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