Chemical Properties of Acetic acid, cyclohexyl ester (CAS 622-45-7)

Acetic acid, cyclohexyl ester

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InChI
InChI=1S/C8H14O2/c1-7(9)10-8-5-3-2-4-6-8/h8H,2-6H2,1H3
InChI Key
YYLLIJHXUHJATK-UHFFFAOYSA-N
Formula
C8H14O2
SMILES
CC(=O)OC1CCCCC1
Molecular Weight1
142.20
CAS
622-45-7
Other Names
  • Acetoxycyclohexane
  • Cyclohexanol, acetate
  • Cyclohexanolazetat
  • Cyclohexanyl acetate
  • Cyclohexyl acetate
  • Cyclohexyl ester of acetic acid
  • Cyclohexylester kyseliny octove
  • Hexalin acetate
  • NSC 8772
  • UN 2243
  • cyclohexanol acetate
  • cyclohexyl ethanoate
  • ethanoic acid, cyclohexyl ester
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Physical Properties

Property Value Unit Source
Δcliquid -4590.00 ± 2.80 kJ/mol NIST
Δf -192.99 kJ/mol Joback Calculated Property
Δfgas -507.20 ± 3.00 kJ/mol NIST
Δfliquid -558.90 ± 3.00 kJ/mol NIST
Δfus 11.10 kJ/mol Joback Calculated Property
Δvap 42.99 kJ/mol Joback Calculated Property
log10WS -1.67 Aq. Sol...
logPoct/wat 1.882 Crippen Calculated Property
McVol 120.160 ml/mol McGowan Calculated Property
Pc 3322.01 kPa Joback Calculated Property
Inp [999.00; 1043.00]   Show Hide
Inp Outlier 999.00 NIST
Inp 1023.00 NIST
Inp 1010.00 NIST
Inp 1024.00 NIST
Inp 1043.00 NIST
Inp 1042.00 NIST
Inp 1043.00 NIST
Inp 1043.00 NIST
Inp 1043.00 NIST
Inp 1043.00 NIST
Inp 1043.00 NIST
Inp 1043.00 NIST
Inp 1017.00 NIST
Inp 1024.00 NIST
Inp 1010.00 NIST
Inp 1027.00 NIST
Inp 1043.00 NIST
Inp 1027.00 NIST
Inp 1024.00 NIST
I [1343.00; 1379.00]   Show Hide
I 1379.00 NIST
I 1343.00 NIST
Tboil [446.20; 450.20] K Show Hide
Tboil 446.26 ± 0.20 K NIST
Tboil 446.20 K NIST
Tboil 447.00 K NIST
Tboil 450.20 ± 1.00 K NIST
Tc 689.84 K Joback Calculated Property
Tfus 259.46 K Joback Calculated Property
Ttriple 224.64 ± 0.15 K NIST
Vc 0.441 m3/kmol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas [263.26; 348.27] J/mol×K [478.28; 689.84] Show Hide
Cp,gas 263.26 J/mol×K 478.28 Joback Calculated Property
Cp,gas 279.37 J/mol×K 513.54 Joback Calculated Property
Cp,gas 294.69 J/mol×K 548.80 Joback Calculated Property
Cp,gas 309.24 J/mol×K 584.06 Joback Calculated Property
Cp,gas 323.01 J/mol×K 619.32 Joback Calculated Property
Cp,gas 336.02 J/mol×K 654.58 Joback Calculated Property
Cp,gas 348.27 J/mol×K 689.84 Joback Calculated Property
η [0.0010100; 0.0019500] Pa×s [300.00; 340.00] Show Hide
η 0.0019500 Pa×s 300.00 Tempera...
η 0.0016100 Pa×s 310.00 Tempera...
η 0.0013600 Pa×s 320.00 Tempera...
η 0.0011600 Pa×s 330.00 Tempera...
η 0.0010100 Pa×s 340.00 Tempera...
ΔfusH 8.00 kJ/mol 224.60 NIST
ΔvapH [46.70; 52.16] kJ/mol [300.11; 407.00] Show Hide
ΔvapH 52.16 kJ/mol 300.11 Compreh...
ΔvapH 46.70 kJ/mol 407.00 NIST
n0 [1.43980; 1.44340]   [293.00; 293.20] Show Hide
n0 1.43980 293.00 Quatern...
n0 1.44220 293.15 Phase e...
n0 1.44340 293.15 (Liquid...
n0 1.44250 293.15 Liquid-...
n0 1.44100 293.20 Phase E...

Correlations

Property Value Unit Temperature (K) Source
Pvap [1.33; 202.64] kPa [333.96; 474.11] The Yaw... Show Hide
Equationln(Pvp) = A + B/(T + C)
Coefficient A1.44507e+01
Coefficient B-3.61094e+03
Coefficient C-7.90080e+01
Temperature range, min.333.96
Temperature range, max.474.11
Pvap 1.33 kPa 333.96 Calculated Property
Pvap 3.01 kPa 349.53 Calculated Property
Pvap 6.23 kPa 365.10 Calculated Property
Pvap 11.95 kPa 380.68 Calculated Property
Pvap 21.51 kPa 396.25 Calculated Property
Pvap 36.63 kPa 411.82 Calculated Property
Pvap 59.49 kPa 427.39 Calculated Property
Pvap 92.70 kPa 442.97 Calculated Property
Pvap 139.27 kPa 458.54 Calculated Property
Pvap 202.64 kPa 474.11 Calculated Property

Similar Compounds

Cyclooctanol, acetate. Nonan-4-yl acetate. 5-Decanol, acetate. 4-Decanol, acetate. 4-Octanol, acetate. 3-Octanol, acetate. 3-Decanol, acetate. 3-Nonanol, acetate. 2,11-Diacetoxyheptadecane. (S,S)-2,12-diacetoxyheptadecane. 2,14-Diacetoxyheptadecane. (S,S)-2,14-diacetoxyheptadecane. (S,S)-2,13-diacetoxyheptadecane. 2,13-Diacetoxyheptadecane. 2,12-Diacetoxyheptadecane.

Find more compounds similar to Acetic acid, cyclohexyl 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.