- InChI
- InChI=1S/C9H16O2/c1-7-3-5-9(6-4-7)11-8(2)10/h7,9H,3-6H2,1-2H3
- InChI Key
- VJBFCCCTSQEGMH-UHFFFAOYSA-N
- Formula
- C9H16O2
- SMILES
- CC(=O)OC1CCC(C)CC1
- Molecular Weight1
- 156.22
- ω : Acentric Factor.
- 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).
- ΔfusH° : Enthalpy of fusion at standard conditions (kJ/mol).
- ΔvapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
- IE : Ionization energy (eV).
- 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).
- Inp : Non-polar retention indices.
- Tboil : Normal Boiling Point Temperature (K).
- Tc : Critical Temperature (K).
- Tfus : Normal melting (fusion) point (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 |
|---|---|---|---|
| ω | 0.4080 | Relay (1.0) Calculated Property | |
| ΔfG° | -268.73 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -517.65 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 16.34 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 59.47 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.60 | eV | Relay (1.0) Calculated Property |
| log10WS | -2.40 | Relay (1.0) Calculated Property | |
| logPoct/wat | 2.128 | Crippen Calculated Property | |
| McVol | 134.250 | ml/mol | McGowan Calculated Property |
| Pc | 2755.56 | kPa | Joback Calculated Property |
| Inp | 1111.00 | NIST | |
| Tboil | 450.83 | K | Relay (1.0) Calculated Property |
| Tc | 662.55 | K | Relay (1.0) Calculated Property |
| Tfus | 214.70 | K | Relay (1.0) Calculated Property |
| Vc | 0.485 | m3/kmol | Relay (1.0) Calculated Property |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [176.89; 483.49] | J/mol×K | [273.00; 1000.00] |
Joback Predicted correlation
|
| Equation | Y = A + B·T + C·T² + D·T³ + E·T⁴ Y is Cp,gas in J/mol×K, T in K | |||
| Coefficient A | -3.95500e+01 | |||
| Coefficient B | 8.99640e-01 | |||
| Coefficient C | -3.96800e-04 | |||
| Coefficient D | 2.02000e-08 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 176.89 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 229.95 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 278.12 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 321.45 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 360.01 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 393.87 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 423.08 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 447.71 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 467.82 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 483.49 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0053703; 0.0002563] | Pa×s | [236.66; 478.63] |
Joback Predicted correlation
|
| Equation | Y = exp(A + B/T + C·ln(T) + D·T^E) Y is η in Pa×s, T in K | |||
| Coefficient A | -1.12447e+01 | |||
| Coefficient B | 1.42418e+03 | |||
| Coefficient C | 0.00000e+00 | |||
| Coefficient D | 0.00000e+00 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 236.66 | |||
| Temperature range, max. | 478.63 | |||
| η | 0.0053703 | Pa×s | 236.66 | Calculated Property |
| η | 0.0029065 | Pa×s | 263.55 | Calculated Property |
| η | 0.0017625 | Pa×s | 290.43 | Calculated Property |
| η | 0.0011633 | Pa×s | 317.32 | Calculated Property |
| η | 0.0008193 | Pa×s | 344.20 | Calculated Property |
| η | 0.0006071 | Pa×s | 371.09 | Calculated Property |
| η | 0.0004684 | Pa×s | 397.98 | Calculated Property |
| η | 0.0003735 | Pa×s | 424.86 | Calculated Property |
| η | 0.0003059 | Pa×s | 451.75 | Calculated Property |
| η | 0.0002563 | Pa×s | 478.63 | Calculated Property |
Similar Compounds
Find more compounds similar to Acetic acid, cis-4-methylcyclohexyl ester.
Sources
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