Chemical Properties of Butanoic acid, heptyl ester (CAS 5870-93-9)

Butanoic acid, heptyl ester

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InChI
InChI=1S/C11H22O2/c1-3-5-6-7-8-10-13-11(12)9-4-2/h3-10H2,1-2H3
InChI Key
JPQHLIYIQARLQM-UHFFFAOYSA-N
Formula
C11H22O2
SMILES
CCCCCCCOC(=O)CCC
Molecular Weight1
186.29
CAS
5870-93-9
Other Names
  • Butyric acid, heptyl ester
  • heptyl butanoate
  • heptyl butyrate
  • n-Heptyl butanoate
  • n-Heptyl n-butyrate

Physical Properties

Property Value Unit Source
Δf -192.18 kJ/mol Joback Calculated Property
Δfgas -515.17 kJ/mol Joback Calculated Property
Δfus 27.03 kJ/mol Joback Calculated Property
Δvap 49.24 kJ/mol Joback Calculated Property
log10WS -3.29 Crippen Calculated Property
logPoct/wat 3.300 Crippen Calculated Property
McVol 173.290 ml/mol McGowan Calculated Property
Pc 2014.51 kPa Joback Calculated Property
Inp [1270.00; 1300.00]   Show Hide
Inp 1287.00 NIST
Inp 1286.00 NIST
Inp 1279.00 NIST
Inp 1272.00 NIST
Inp 1270.00 NIST
Inp 1273.00 NIST
Inp 1276.00 NIST
Inp 1291.00 NIST
Inp Outlier 1300.00 NIST
Inp 1274.00 NIST
Inp 1276.00 NIST
Inp 1275.00 NIST
I [1502.00; 1526.00]   Show Hide
I 1526.00 NIST
I 1526.00 NIST
I 1522.00 NIST
I 1502.00 NIST
I 1520.00 NIST
I 1503.00 NIST
I 1526.00 NIST
Tboil [497.60; 499.02] K Show Hide
Tboil 497.60 K Vapor p...
Tboil 499.02 ± 0.30 K NIST
Tboil 498.40 ± 1.50 K NIST
Tc 698.36 K Joback Calculated Property
Tfus 215.70 ± 0.50 K NIST
Vc 0.675 m3/kmol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas [415.24; 496.57] J/mol×K [527.37; 698.36] Show Hide
Cp,gas 415.24 J/mol×K 527.37 Joback Calculated Property
Cp,gas 430.19 J/mol×K 555.87 Joback Calculated Property
Cp,gas 444.58 J/mol×K 584.37 Joback Calculated Property
Cp,gas 458.41 J/mol×K 612.87 Joback Calculated Property
Cp,gas 471.67 J/mol×K 641.36 Joback Calculated Property
Cp,gas 484.39 J/mol×K 669.86 Joback Calculated Property
Cp,gas 496.57 J/mol×K 698.36 Joback Calculated Property
η [0.0002056; 0.0032030] Pa×s [285.89; 527.37] Show Hide
η 0.0032030 Pa×s 285.89 Joback Calculated Property
η 0.0015281 Pa×s 326.14 Joback Calculated Property
η 0.0008577 Pa×s 366.38 Joback Calculated Property
η 0.0005398 Pa×s 406.63 Joback Calculated Property
η 0.0003692 Pa×s 446.88 Joback Calculated Property
η 0.0002689 Pa×s 487.12 Joback Calculated Property
η 0.0002056 Pa×s 527.37 Joback Calculated Property
ΔvapH [58.70; 65.10] kJ/mol [298.15; 441.00] Show Hide
ΔvapH 65.10 kJ/mol 298.15 Vapor p...
ΔvapH 58.70 kJ/mol 441.00 NIST
Pvap 7.80e-03 kPa 298.15 Vapor p...

Similar Compounds

Butyric acid, pentadecyl ester. Butanoic acid, undecyl ester. Butanoic acid, octyl ester. Butyric acid, hexadecyl ester. Butyric acid, tridecyl ester. Butanoic acid, docosyl ester. Butyric acid, octadecyl ester. Butyric acid, dodecyl ester. Butanoic acid, decyl ester. Butanoic acid, nonyl ester. Butyric acid, tetradecyl ester. Eicosyl butyrate. hexyl-d3 butanoate-d3. hexyl-d3 butanoate. Butanoic acid, hexyl ester.

Find more compounds similar to Butanoic acid, heptyl ester.

Sources

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