Chemical Properties of 2-Octynoic acid, methyl ester (CAS 111-12-6)

2-Octynoic acid, methyl ester

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InChI
InChI=1S/C9H14O2/c1-3-4-5-6-7-8-9(10)11-2/h3-6H2,1-2H3
InChI Key
FRLZQXRXIKQFNS-UHFFFAOYSA-N
Formula
C9H14O2
SMILES
CCCCCC#CC(=O)OC
Molecular Weight1
154.21
CAS
111-12-6
Other Names
  • Folione
  • Methyl hept-1-yne-1-carboxylate
  • Methyl 2-octynate
  • Methyl 2-octynoate
  • Methyl heptyne carbonate
  • Methyl heptine carbonate
  • Vert de violette, artificial
  • Methyl 2-octinate
  • Methyl pentylacetylenecarboxylate
  • NSC 72098
  • methyl oct-2-ynoate

Physical Properties

Property Value Unit Source
Δf -6.22 kJ/mol Joback Calculated Property
Δfgas -201.59 kJ/mol Joback Calculated Property
Δfus 24.97 kJ/mol Joback Calculated Property
Δvap 46.94 kJ/mol Joback Calculated Property
log10WS -2.25 Crippen Calculated Property
logPoct/wat 1.743 Crippen Calculated Property
McVol 136.510 ml/mol McGowan Calculated Property
Pc 2841.41 kPa Joback Calculated Property
Inp [1202.00; 1213.00]   Show Hide
Inp 1210.00 NIST
Inp 1211.00 NIST
Inp 1212.00 NIST
Inp 1213.00 NIST
Inp 1213.00 NIST
Inp 1212.00 NIST
Inp Outlier 1202.00 NIST
Inp 1210.00 NIST
Inp 1212.00 NIST
Tboil 491.70 K NIST
Tc 686.68 K Joback Calculated Property
Tfus 369.45 K Joback Calculated Property
Vc 0.525 m3/kmol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas [290.83; 357.92] J/mol×K [490.61; 686.68] Show Hide
Cp,gas 290.83 J/mol×K 490.61 Joback Calculated Property
Cp,gas 303.21 J/mol×K 523.29 Joback Calculated Property
Cp,gas 315.11 J/mol×K 555.97 Joback Calculated Property
Cp,gas 326.53 J/mol×K 588.64 Joback Calculated Property
Cp,gas 337.47 J/mol×K 621.32 Joback Calculated Property
Cp,gas 347.93 J/mol×K 654.00 Joback Calculated Property
Cp,gas 357.92 J/mol×K 686.68 Joback Calculated Property
ΔvapH 64.50 kJ/mol 297.50 NIST

Pressure Dependent Properties

Property Value Unit Pressure (kPa) Source
Tboilr [351.00; 380.20] K [0.50; 2.70] Show Hide
Tboilr 351.00 K 0.50 NIST
Tboilr 367.20 K 1.30 NIST
Tboilr 380.20 K 2.70 NIST

Similar Compounds

2-Nonynoic acid, methyl ester. Methyl-2-heptynoate. Ethyl 2-octynoate. 2-Octynoic acid. C11H18O2. 2-Nonynoic acid, ethyl ester. 2,5-Octadecadiynoic acid, methyl ester. 2-Nonynoic acid. Ethyl 2-heptynoate. 2-Heptynoic acid. Non-2-ynoic acid propyl ester. 2-Octyn-1-ol. 2-Decyn-1-ol. 2-Nonyn-1-ol. Oct-2-ynamide.

Find more compounds similar to 2-Octynoic acid, methyl ester.

Sources

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Outlier This icon means that the value is more than 2 standard deviations away from the property mean.