Chemical Properties of Acetic acid, heptyl ester (CAS 112-06-1)

Acetic acid, heptyl ester

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InChI
InChI=1S/C9H18O2/c1-3-4-5-6-7-8-11-9(2)10/h3-8H2,1-2H3
InChI Key
ZCZSIDMEHXZRLG-UHFFFAOYSA-N
Formula
C9H18O2
SMILES
CCCCCCCOC(C)=O
Molecular Weight1
158.24
CAS
112-06-1
Other Names
  • 1-HEPTYL ACETATE
  • Acetate C-7
  • Acetic acid n-heptyl ester
  • HEPTANYL ACETATE
  • Heptanol acetate
  • Heptyl acetate
  • N-HEPTYL ETHANOATE
  • heptyl ethanoate
  • n-Heptyl acetate
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Physical Properties

Property Value Unit Source
Δf -209.02 kJ/mol Joback Calculated Property
Δfgas -473.89 kJ/mol Joback Calculated Property
Δfus 21.85 kJ/mol Joback Calculated Property
Δvap [56.90; 57.10] kJ/mol Show Hide
Δvap 57.10 ± 0.20 kJ/mol NIST
Δvap 56.90 kJ/mol NIST
log10WS -2.45 Crippen Calculated Property
logPoct/wat 2.520 Crippen Calculated Property
McVol 145.110 ml/mol McGowan Calculated Property
Pc 2412.37 kPa Joback Calculated Property
Inp [1070.00; 1120.00]   Show Hide
Inp 1089.15 NIST
Inp 1110.21 NIST
Inp 1095.00 NIST
Inp Outlier 1070.00 NIST
Inp 1095.00 NIST
Inp Outlier 1070.00 NIST
Inp 1086.00 NIST
Inp 1090.00 NIST
Inp 1093.00 NIST
Inp 1099.00 NIST
Inp 1083.00 NIST
Inp 1083.00 NIST
Inp 1091.70 NIST
Inp 1095.00 NIST
Inp 1095.00 NIST
Inp 1096.00 NIST
Inp 1094.00 NIST
Inp 1096.00 NIST
Inp 1096.00 NIST
Inp 1093.00 NIST
Inp 1096.00 NIST
Inp 1095.00 NIST
Inp 1120.00 NIST
Inp 1115.00 NIST
Inp 1111.00 NIST
Inp 1113.00 NIST
Inp 1112.00 NIST
Inp 1085.00 NIST
Inp 1111.00 NIST
Inp 1090.00 NIST
Inp 1094.00 NIST
Inp 1115.00 NIST
Inp 1096.00 NIST
Inp 1111.00 NIST
Inp 1112.00 NIST
Inp 1114.00 NIST
Inp 1111.00 NIST
Inp 1090.00 NIST
Inp 1110.00 NIST
Inp 1110.00 NIST
Inp 1090.00 NIST
Inp 1094.00 NIST
Inp 1090.00 NIST
Inp 1114.00 NIST
Inp 1115.00 NIST
Inp 1118.00 NIST
Inp 1114.00 NIST
Inp 1113.00 NIST
Inp 1095.00 NIST
Inp 1091.00 NIST
Inp 1094.00 NIST
Inp 1096.00 NIST
Inp 1111.00 NIST
Inp 1089.15 NIST
Inp Outlier 1070.00 NIST
Inp 1083.00 NIST
Inp 1094.00 NIST
Inp 1095.00 NIST
Inp 1114.00 NIST
I [1360.00; 1401.00]   Show Hide
I 1385.00 NIST
I 1372.00 NIST
I Outlier 1401.00 NIST
I Outlier 1400.00 NIST
I 1385.00 NIST
I 1385.00 NIST
I 1385.00 NIST
I 1361.00 NIST
I 1374.00 NIST
I 1370.00 NIST
I 1366.00 NIST
I 1377.00 NIST
I 1377.00 NIST
I 1392.00 NIST
I 1392.00 NIST
I 1377.00 NIST
I 1370.00 NIST
I 1386.00 NIST
I 1374.00 NIST
I 1377.00 NIST
I 1385.00 NIST
I 1364.00 NIST
I 1380.00 NIST
I 1369.00 NIST
I 1362.00 NIST
I 1360.00 NIST
I 1385.00 NIST
I 1362.00 NIST
I 1361.00 NIST
I 1370.00 NIST
I 1377.00 NIST
Tboil [464.00; 501.00] K Show Hide
Tboil 465.60 K KDB
Tboil 501.00 ± 3.00 K NIST
Tboil 464.00 ± 3.00 K NIST
Tboil 465.60 ± 0.30 K NIST
Tboil 464.50 ± 1.50 K NIST
Tc 655.29 K Joback Calculated Property
Tfus [222.95; 223.00] K Show Hide
Tfus 222.95 K KDB
Tfus 223.00 ± 0.50 K NIST
Vc 0.564 m3/kmol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas [322.89; 395.29] J/mol×K [481.61; 655.29] Show Hide
Cp,gas 322.89 J/mol×K 481.61 Joback Calculated Property
Cp,gas 336.15 J/mol×K 510.56 Joback Calculated Property
Cp,gas 348.92 J/mol×K 539.50 Joback Calculated Property
Cp,gas 361.21 J/mol×K 568.45 Joback Calculated Property
Cp,gas 373.04 J/mol×K 597.40 Joback Calculated Property
Cp,gas 384.40 J/mol×K 626.35 Joback Calculated Property
Cp,gas 395.29 J/mol×K 655.29 Joback Calculated Property
η [0.0002395; 0.0033103] Pa×s [263.35; 481.61] Show Hide
η 0.0033103 Pa×s 263.35 Joback Calculated Property
η 0.0016384 Pa×s 299.73 Joback Calculated Property
η 0.0009442 Pa×s 336.10 Joback Calculated Property
η 0.0006060 Pa×s 372.48 Joback Calculated Property
η 0.0004209 Pa×s 408.86 Joback Calculated Property
η 0.0003103 Pa×s 445.23 Joback Calculated Property
η 0.0002395 Pa×s 481.61 Joback Calculated Property
ΔvapH 49.20 kJ/mol 432.50 NIST
Pvap [7.04e-03; 0.10] kPa [274.50; 306.10] Show Hide
Pvap 7.04e-03 kPa 274.50 Vapour ...
Pvap 8.51e-03 kPa 276.50 Vapour ...
Pvap 0.01 kPa 278.70 Vapour ...
Pvap 0.01 kPa 281.80 Vapour ...
Pvap 0.02 kPa 284.80 Vapour ...
Pvap 0.02 kPa 287.90 Vapour ...
Pvap 0.03 kPa 290.90 Vapour ...
Pvap 0.04 kPa 294.00 Vapour ...
Pvap 0.05 kPa 297.00 Vapour ...
Pvap 0.06 kPa 300.10 Vapour ...
Pvap 0.08 kPa 303.10 Vapour ...
Pvap 0.10 kPa 306.10 Vapour ...
ρl [852.59; 870.58] kg/m3 [293.20; 313.20] Show Hide
ρl 870.58 kg/m3 293.20 Liquid-...
ρl 852.59 kg/m3 313.20 Liquid-...

Correlations

Property Value Unit Temperature (K) Source
Pvap [1.33; 202.65] kPa [351.54; 490.93] The Yaw... Show Hide
Equationln(Pvp) = A + B/(T + C)
Coefficient A1.54381e+01
Coefficient B-4.25680e+03
Coefficient C-7.05730e+01
Temperature range, min.351.54
Temperature range, max.490.93
Pvap 1.33 kPa 351.54 Calculated Property
Pvap 2.94 kPa 367.03 Calculated Property
Pvap 6.00 kPa 382.52 Calculated Property
Pvap 11.44 kPa 398.00 Calculated Property
Pvap 20.59 kPa 413.49 Calculated Property
Pvap 35.20 kPa 428.98 Calculated Property
Pvap 57.57 kPa 444.47 Calculated Property
Pvap 90.55 kPa 459.95 Calculated Property
Pvap 137.57 kPa 475.44 Calculated Property
Pvap 202.65 kPa 490.93 Calculated Property
Pvap [8.30; 138.17] kPa [387.15; 478.15] KDB Vap... Show Hide
Equationln(Pvp) = A + B/T + C*ln(T) + D*T^2
Coefficient A1.29169e+02
Coefficient B-1.14540e+04
Coefficient C-1.65742e+01
Coefficient D8.63888e-06
Temperature range, min.387.15
Temperature range, max.478.15
Pvap 8.30 kPa 387.15 Calculated Property
Pvap 12.32 kPa 397.26 Calculated Property
Pvap 17.82 kPa 407.37 Calculated Property
Pvap 25.20 kPa 417.48 Calculated Property
Pvap 34.91 kPa 427.59 Calculated Property
Pvap 47.46 kPa 437.71 Calculated Property
Pvap 63.40 kPa 447.82 Calculated Property
Pvap 83.37 kPa 457.93 Calculated Property
Pvap 108.05 kPa 468.04 Calculated Property
Pvap 138.17 kPa 478.15 Calculated Property

Similar Compounds

1-Undecanol, acetate. 1-Acetoxynonadecane. Acetic acid, decyl ester. Tetracosyl acetate. 1-Docosanol, acetate. Eicosanyl acetate. Tridecyl acetate. 1-Pentadecanol acetate. Lauryl acetate. Heptacosyl acetate. Tricosyl acetate. Triacontyl acetate. nonacosyl acetate. Acetic acid, octyl ester. Acetic acid n-octadecyl ester.

Find more compounds similar to Acetic acid, heptyl ester.

Mixtures

Sources

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