Chemical Properties of Acetic acid n-octadecyl ester (CAS 822-23-1)

Acetic acid n-octadecyl ester

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InChI
InChI=1S/C20H40O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-22-20(2)21/h3-19H2,1-2H3
InChI Key
OIZXRZCQJDXPFO-UHFFFAOYSA-N
Formula
C20H40O2
SMILES
CCCCCCCCCCCCCCCCCCOC(C)=O
Molecular Weight1
312.53
CAS
822-23-1
Other Names
  • 1-Octadecanol acetate
  • 1-Octadecyl acetate
  • Acetic acid, octadecyl ester
  • Octadecanol acetate
  • Octadecyl acetate
  • Stearyl acetate
  • n-Octadecyl acetate
  • n-Octadecyl ethanoate
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Physical Properties

Property Value Unit Source
Δf -116.40 kJ/mol Joback Calculated Property
Δfgas -700.93 kJ/mol Joback Calculated Property
Δfus 50.34 kJ/mol Joback Calculated Property
Δvap 113.50 kJ/mol NIST
log10WS -7.06 Crippen Calculated Property
logPoct/wat 6.811 Crippen Calculated Property
McVol 300.100 ml/mol McGowan Calculated Property
Pc 1045.97 kPa Joback Calculated Property
Inp [2161.00; 2211.00]   Show
Inp Outlier 2161.00 NIST
Inp 2193.00 NIST
Inp 2208.00 NIST
Inp 2178.00 NIST
Inp 2211.00 NIST
Inp 2208.00 NIST
Inp 2207.30 NIST
Inp 2211.00 NIST
Inp 2211.00 NIST
Inp 2192.00 NIST
Inp 2209.00 NIST
Inp 2209.00 NIST
Inp 2197.00 NIST
Inp 2197.00 NIST
Inp 2205.00 NIST
Inp 2208.00 NIST
Inp Outlier 2161.00 NIST
Inp 2211.00 NIST
I [2516.00; 2521.00]   Show
I 2516.00 NIST
I 2516.00 NIST
I 2521.00 NIST
I 2521.00 NIST
Tboil 733.29 K Joback Calculated Property
Tc 904.52 K Joback Calculated Property
Tfus 305.80 ± 0.60 K NIST
Vc 1.179 m3/kmol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas [908.52; 1013.17] J/mol×K [733.29; 904.52] Show
T(K)
Ideal gas heat capacity (J/mol×K)
900
920
940
960
980
1000
1020
750
800
850
900
Cp,gas 908.52 J/mol×K 733.29 Joback Calculated Property
Cp,gas 928.17 J/mol×K 761.83 Joback Calculated Property
Cp,gas 946.91 J/mol×K 790.37 Joback Calculated Property
Cp,gas 964.76 J/mol×K 818.91 Joback Calculated Property
Cp,gas 981.74 J/mol×K 847.45 Joback Calculated Property
Cp,gas 997.86 J/mol×K 875.99 Joback Calculated Property
Cp,gas 1013.17 J/mol×K 904.52 Joback Calculated Property
η [0.0000733; 0.0016619] Pa×s [387.32; 733.29] Show
T(K)
Dynamic viscosity (Pa×s)
0
5.00e-4
1.00e-3
1.50e-3
400
500
600
700
η 0.0016619 Pa×s 387.32 Joback Calculated Property
η 0.0007053 Pa×s 444.98 Joback Calculated Property
η 0.0003644 Pa×s 502.64 Joback Calculated Property
η 0.0002156 Pa×s 560.30 Joback Calculated Property
η 0.0001407 Pa×s 617.97 Joback Calculated Property
η 0.0000988 Pa×s 675.63 Joback Calculated Property
η 0.0000733 Pa×s 733.29 Joback Calculated Property
ΔvapH 94.30 kJ/mol 420.50 NIST

Pressure Dependent Properties

Property Value Unit Pressure (kPa) Source
Tboilr 452.50 ± 0.50 K 0.30 NIST

Correlations

Property Value Unit Temperature (K) Source
Pvap [1.33; 202.63] kPa [542.52; 642.14] The Yaw... Show
Equationln(Pvp) = A + B/(T + C)
Coefficient A2.57805e+01
Coefficient B-1.03474e+04
Coefficient C-1.36626e+02
Temperature range, min.542.52
Temperature range, max.642.14
T(K)
Vapor pressure (kPa)
0
50
100
150
200
550
600
Pvap 1.33 kPa 542.52 Calculated Property
Pvap 2.62 kPa 553.59 Calculated Property
Pvap 4.98 kPa 564.66 Calculated Property
Pvap 9.17 kPa 575.73 Calculated Property
Pvap 16.36 kPa 586.80 Calculated Property
Pvap 28.40 kPa 597.86 Calculated Property
Pvap 48.05 kPa 608.93 Calculated Property
Pvap 79.36 kPa 620.00 Calculated Property
Pvap 128.14 kPa 631.07 Calculated Property
Pvap 202.63 kPa 642.14 Calculated Property

Similar Compounds

hentriacontyl acetate. nonacosyl acetate. 1-Acetoxynonadecane. Acetic acid, decyl ester. Tetracosyl acetate. Tridecyl acetate. Eicosanyl acetate. Triacontyl acetate. Hexacosyl acetate. 1-Pentadecanol acetate. Octacosyl acetate. Heptadecyl acetate. Heneicosyl acetate. Acetic acid, nonyl ester. 1-Docosanol, acetate.

Find more compounds similar to Acetic acid n-octadecyl ester.

Sources

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