Chemical Properties of Benzoic acid, 3-iodo-, methyl ester (CAS 618-91-7)

Benzoic acid, 3-iodo-, methyl ester

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InChI
InChI=1S/C8H7IO2/c1-11-8(10)6-3-2-4-7(9)5-6/h2-5H,1H3
InChI Key
NPXOIGSBRLCOSD-UHFFFAOYSA-N
Formula
C8H7IO2
SMILES
COC(=O)c1cccc(I)c1
Molecular Weight1
262.04
CAS
618-91-7
Other Names
  • Benzoic acid, m-iodo-, methyl ester
  • Methyl m-iodobenzoate
  • Methyl 3-iodobenzoate
  • 3-Iodomethylbenzoate
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Physical Properties

Property Value Unit Source
Δcsolid -3870.20 ± 4.20 kJ/mol NIST
Δf -56.54 kJ/mol Joback Calculated Property
Δfgas -151.32 kJ/mol Joback Calculated Property
Δfus 17.32 kJ/mol Joback Calculated Property
Δvap 54.87 kJ/mol Joback Calculated Property
log10WS -2.86 Crippen Calculated Property
logPoct/wat 2.078 Crippen Calculated Property
McVol 133.080 ml/mol McGowan Calculated Property
Pc 3690.97 kPa Joback Calculated Property
Inp [1448.00; 1448.00]   Show Hide
Inp 1448.00 NIST
Inp 1448.00 NIST
Tboil 583.53 K Joback Calculated Property
Tc 836.60 K Joback Calculated Property
Tfus 349.08 K Joback Calculated Property
Vc 0.487 m3/kmol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas [255.67; 306.58] J/mol×K [583.53; 836.60] Show Hide
Cp,gas 255.67 J/mol×K 583.53 Joback Calculated Property
Cp,gas 265.96 J/mol×K 625.71 Joback Calculated Property
Cp,gas 275.50 J/mol×K 667.89 Joback Calculated Property
Cp,gas 284.30 J/mol×K 710.06 Joback Calculated Property
Cp,gas 292.40 J/mol×K 752.24 Joback Calculated Property
Cp,gas 299.81 J/mol×K 794.42 Joback Calculated Property
Cp,gas 306.58 J/mol×K 836.60 Joback Calculated Property
η [0.0002576; 0.0019750] Pa×s [349.08; 583.53] Show Hide
η 0.0019750 Pa×s 349.08 Joback Calculated Property
η 0.0011856 Pa×s 388.16 Joback Calculated Property
η 0.0007813 Pa×s 427.23 Joback Calculated Property
η 0.0005522 Pa×s 466.31 Joback Calculated Property
η 0.0004118 Pa×s 505.38 Joback Calculated Property
η 0.0003203 Pa×s 544.45 Joback Calculated Property
η 0.0002576 Pa×s 583.53 Joback Calculated Property

Pressure Dependent Properties

Property Value Unit Pressure (kPa) Source
Tboilr [423.20; 549.70] K [2.40; 98.50] Show Hide
Tboilr 423.20 K 2.40 NIST
Tboilr 549.70 K 98.50 NIST

Similar Compounds

Ethyl 3-iodobenzoate. Methyl-2-iodobenzoate. methyl 2,5-diiodobenzoate. Benzoic acid, 4-iodo-, methyl ester. Benzoic acid, 3-iodo-. Benzoic acid, methyl ester. 1,3-Benzenedicarboxylic acid, dimethyl ester. Trimethylsilyl 3-iodobenzoate. Butyl 3-iodobenzoate. Ethyl 4-iodobenzoate. 1,3-Benzenedicarboxylic acid, monomethyl ester. 3-Fluorobenzoic acid, methyl ester. 2-Naphthalenecarboxylic acid, methyl ester. 2,6-Naphthalenedicarboxylic acid, dimethyl ester. 1,4-Benzenedicarboxylic acid, dimethyl ester.

Find more compounds similar to Benzoic acid, 3-iodo-, methyl ester.

Sources

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