- InChI
- InChI=1S/C9H18O3/c1-5-11-9(10)12-8(4)6-7(2)3/h7-8H,5-6H2,1-4H3
- InChI Key
- CKVPXYFKQTVVGZ-UHFFFAOYSA-N
- Formula
- C9H18O3
- SMILES
- CCOC(=O)OC(C)CC(C)C
- Molecular Weight1
- 174.24
- ω : Acentric Factor.
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- η : Dynamic viscosity (Pa×s).
- 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).
- 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 | 0.5355 | Relay (1.0) Calculated Property | |
| ΔfH°gas | -756.09 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 17.58 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 61.07 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.89 | eV | Relay (1.0) Calculated Property |
| logPoct/wat | 2.594 | Crippen Calculated Property | |
| McVol | 150.980 | ml/mol | McGowan Calculated Property |
| Pc | 2315.84 | kPa | Joback Calculated Property |
| Inp | [1057.00; 1057.00] |
|
|
| Inp | 1057.00 | NIST | |
| Inp | 1057.00 | NIST | |
| Tboil | 443.10 | K | Relay (1.0) Calculated Property |
| Tc | 598.45 | K | Relay (1.0) Calculated Property |
| Tfus | 192.90 | K | Relay (1.0) Calculated Property |
| Vc | 0.568 | m3/kmol | Relay (1.0) Calculated Property |
Cheméo can also estimate Standard Gibbs free energy of formation, Log10 of Water solubility in mol/l for this compound, but they fall outside the models' validated range, so they are not shown here. Open the prediction tool to compute them on demand.
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [227.52; 511.33] | 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 | 4.22520e+01 | |||
| Coefficient B | 7.52680e-01 | |||
| Coefficient C | -2.66600e-04 | |||
| Coefficient D | -1.70000e-08 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 227.52 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 274.41 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 317.59 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 357.01 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 392.60 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 424.31 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 452.09 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 475.90 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 495.66 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 511.33 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0104379; 0.0001973] | Pa×s | [225.75; 463.84] |
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 | -1.22936e+01 | |||
| Coefficient B | 1.74533e+03 | |||
| Coefficient C | 0.00000e+00 | |||
| Coefficient D | 0.00000e+00 | |||
| Coefficient E | 0.00000e+00 | |||
| Comment | Liquid phase. Joback/Reid (1987), valid from Tf to 0.7·Tc. | |||
| Temperature range, min. | 225.75 | |||
| Temperature range, max. | 463.84 | |||
| η | 0.0104379 | Pa×s | 225.75 | Calculated Property |
| η | 0.0046390 | Pa×s | 252.20 | Calculated Property |
| η | 0.0024049 | Pa×s | 278.66 | Calculated Property |
| η | 0.0013972 | Pa×s | 305.11 | Calculated Property |
| η | 0.0008852 | Pa×s | 331.57 | Calculated Property |
| η | 0.0006000 | Pa×s | 358.02 | Calculated Property |
| η | 0.0004290 | Pa×s | 384.48 | Calculated Property |
| η | 0.0003203 | Pa×s | 410.93 | Calculated Property |
| η | 0.0002477 | Pa×s | 437.38 | Calculated Property |
| η | 0.0001973 | Pa×s | 463.84 | Calculated Property |
Similar Compounds
Find more compounds similar to Ethyl 4-methylpentan-2-yl carbonate.
Sources
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