- 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
- ΔcH°liquid : Standard liquid enthalpy of combustion (kJ/mol).
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- η : Dynamic viscosity (Pa×s).
- ΔfG° : Standard Gibbs free energy of formation (kJ/mol).
- ΔfH°gas : Enthalpy of formation at standard conditions (kJ/mol).
- ΔfH°liquid : Liquid phase enthalpy of formation at standard conditions (kJ/mol).
- ΔfusH° : Enthalpy of fusion at standard conditions (kJ/mol).
- ΔfusH : Enthalpy of fusion at a given temperature (kJ/mol).
- ΔvapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
- ΔvapH : Enthalpy of vaporization at a given temperature (kJ/mol).
- log10WS : Log10 of Water solubility in mol/l.
- logPoct/wat : Octanol/Water partition coefficient.
- McVol : McGowan's characteristic volume (ml/mol).
- Pc : Critical Pressure (kPa).
- Pvap : Vapor pressure (kPa).
- n0 : Refractive Index.
- Inp : Non-polar retention indices.
- I : Polar retention indices.
- Tboil : Normal Boiling Point Temperature (K).
- Tc : Critical Temperature (K).
- Tfus : Normal melting (fusion) point (K).
- Ttriple : Triple Point Temperature (K).
- Vc : Critical Volume (m3/kmol).
- 1: Molecular weight from the IUPAC atomic weights tables.
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Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| ΔcH°liquid | -4590.00 ± 2.80 | kJ/mol | NIST |
| ΔfG° | -192.99 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -507.20 ± 3.00 | kJ/mol | NIST |
| ΔfH°liquid | -558.90 ± 3.00 | kJ/mol | NIST |
| ΔfusH° | 11.10 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 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] |
|
|
| 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] |
|
|
| I | 1379.00 | NIST | |
| I | 1343.00 | NIST | |
| Tboil | [446.20; 450.20] | K |
|
| 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] |
|
| 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] |
|
| 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] |
|
| 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] |
|
|
| 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...
|
| Equation | ln(Pvp) = A + B/(T + C) | |||
| Coefficient A | 1.44507e+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
Find more compounds similar to Acetic acid, cyclohexyl ester.
Mixtures
- Acetic acid, cyclohexyl ester + Water
- 1-Propanol + Acetic acid, cyclohexyl ester + Water
- Butanoic acid + Acetic acid, cyclohexyl ester + Water
- Acetic acid, cyclohexyl ester + 1-Decanol
- 2-Furanmethanol, tetrahydro- + Acetic acid, cyclohexyl ester + Water
- Pentanoic acid, 4-oxo- + Acetic acid, cyclohexyl ester + Water
Sources
- Crippen Method
- Phase equilibria of water + 1-propanol + solvent (n-amyl acetate, cyclohexanol, and cyclohexyl acetate) at T = 298.2K
- (Liquid + liquid) equilibria of (water + butyric acid + cyclohexyl acetate) ternary system
- Phase equilibria for ternary liquid systems of (water + levulinic acid + cyclic solvent) at T = 298.2 K: Thermodynamic modeling
- Solubility of fragrance raw materials in water: Experimental study, correlations, and Mod. UNIFAC (Do) predictions
- Liquid-liquid equilibria study of the (water + phosphoric acid + hexyl or cyclohexyl acetate) systems at T = (298.15, 308.15, and 318.15) K: Measurement and thermodynamic modelling
- Temperature and composition dependence of the density and viscosity of binary mixtures of (1-decanol + fragrance material)
- Comprehensive Study of Vapor Pressures and Enthalpies of Vaporization of Cyclohexyl Esters
- Phase Equilibria for the Ternary Liquid Systems of (Water + Tetrahydrofurfuryl Alcohol + Cyclic Solvent) at 298.2 K
- Quaternary Liquid-Liquid Equilibrium of Water + Acetic Acid + Propionic Acid + Solvent (Amyl Alcohol, Cyclohexyl Acetate, or Toluene) Systems
- Joback Method
- Aqueous Solubility Prediction Method
- McGowan Method
- NIST Webbook
- The Yaws Handbook of Vapor Pressure
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