Chemical Properties of Ethanol, 2-chloro, 4-nitrobenzoate (CAS 949-03-1)

Ethanol, 2-chloro, 4-nitrobenzoate

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InChI
InChI=1S/C9H8ClNO4/c10-5-6-15-9(12)7-1-3-8(4-2-7)11(13)14/h1-4H,5-6H2
InChI Key
BUIVPELJVUWILR-UHFFFAOYSA-N
Formula
C9H8ClNO4
SMILES
O=C(OCCCl)c1ccc([N+](=O)[O-])cc1
Molecular Weight1
229.62
CAS
949-03-1
Other Names
  • Ethanol, 2-chloro, 4-nitrobenzoate
Sources

Physical Properties

Property Value Unit Source
Δf -82.62 kJ/mol Joback Calculated Property
Δfgas -275.33 kJ/mol Joback Calculated Property
Δfus 31.06 kJ/mol Joback Calculated Property
Δvap 68.70 kJ/mol Joback Calculated Property
logPoct/wat 1.99 Crippen Calculated Property
Pc 3284.05 kPa Joback Calculated Property
Tboil 702.54 K Joback Calculated Property
Tc 947.37 K Joback Calculated Property
Tfus 475.82 K Joback Calculated Property
Vc 0.59 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 367.31 J/mol×K 702.54 Joback Calculated Property

Molecular Descriptors

Joback and Reid Groups
-O- (nonring) 1
-Cl 1
=CH- (ring) 4
-NO2 1
=C< (ring) 2
-CH2- 2
>C=O (nonring) 1

Similar Compounds

Benzoic acid, 4-nitro, 2,2-dichloroethyl ester. Ethyl 4-nitrobenzoate. Benzoic acid, 4-nitro, 2,2,2-trichloroethyl ester. Benzoic acid, 4-nitro, allyl ester. P-nitrobenzoic acid, n-propyl ester. Benzoic acid, 4-nitro-, 1-methylethyl ester. Benzoic acid, 4-nitro, 2-propynyl ester. 4-Nitrobenzoic acid, 3-chloroprop-2-enyl ester. Benzoic acid, 4-nitro, (E)-2-butenyl ester. P-nitrobenzoic acid, isobutyl ester. Methyl p-nitro benzoate. Benzoic acid, 4-nitro-, methyl ester. Benzoic acid, 4-nitro, 3-butenyl ester. n-Butyl 4-nitrobenzoate. 4-Nitrobenzoic acid, 3-methylbut-2-enyl ester.

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