- InChI
- InChI=1S/C10H18O3/c1-8(5-6-12-2)7-13-10(11)9-3-4-9/h8-9H,3-7H2,1-2H3
- InChI Key
- ZDAXWKATNIUDLK-UHFFFAOYSA-N
- Formula
- C10H18O3
- SMILES
- COCCC(C)COC(=O)C1CC1
- Molecular Weight1
- 186.25
- 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).
- logPoct/wat : Octanol/Water partition coefficient.
- McVol : McGowan's characteristic volume (ml/mol).
- Inp : Non-polar retention indices.
- Tboil : Normal Boiling Point Temperature (K).
- 1: Molecular weight from the IUPAC atomic weights tables.
Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| ΔfH°gas | -615.66 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 21.82 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 61.41 | kJ/mol | Relay (1.0) Calculated Property |
| logPoct/wat | 1.612 | Crippen Calculated Property | |
| McVol | 154.210 | ml/mol | McGowan Calculated Property |
| Inp | [1317.00; 1317.00] |
|
|
| Inp | 1317.00 | NIST | |
| Inp | 1317.00 | NIST | |
| Tboil | 507.84 | K | Relay (1.0) Calculated Property |
Cheméo can also estimate Normal melting (fusion) point, Critical Temperature, Critical Pressure, Critical Volume, Standard Gibbs free energy of formation, Acentric Factor, Ionization energy, 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 | [225.60; 542.12] | 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 | -7.21700e+00 | |||
| Coefficient B | 9.92640e-01 | |||
| Coefficient C | -5.38000e-04 | |||
| Coefficient D | 9.47000e-08 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 225.60 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 280.81 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 330.32 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 374.41 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 413.39 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 447.56 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 477.22 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 502.67 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 524.20 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 542.12 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0031610; 0.0003722] | Pa×s | [269.96; 490.07] |
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 | -1.05199e+01 | |||
| Coefficient B | 1.28583e+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. | 269.96 | |||
| Temperature range, max. | 490.07 | |||
| η | 0.0031610 | Pa×s | 269.96 | Calculated Property |
| η | 0.0021281 | Pa×s | 294.42 | Calculated Property |
| η | 0.0015224 | Pa×s | 318.87 | Calculated Property |
| η | 0.0011423 | Pa×s | 343.33 | Calculated Property |
| η | 0.0008905 | Pa×s | 367.79 | Calculated Property |
| η | 0.0007160 | Pa×s | 392.24 | Calculated Property |
| η | 0.0005907 | Pa×s | 416.70 | Calculated Property |
| η | 0.0004978 | Pa×s | 441.16 | Calculated Property |
| η | 0.0004272 | Pa×s | 465.61 | Calculated Property |
| η | 0.0003722 | Pa×s | 490.07 | Calculated Property |
Similar Compounds
Find more compounds similar to Cyclopropanecarboxylic acid, 4-methoxy-2-methylbutyl ester.
Sources
- Cheméo Relay (1.0)
- Cheméo Relay (1.0, beta) Beta: served but experimental, data-limited and below our cross-validation release bar; the Joback value is recommended where available.
- Crippen Method
- Crippen Method
- Joback Method
- McGowan Method
- NIST Webbook
Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more.
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