- InChI
- InChI=1S/C10H18O2/c1-2-3-4-5-6-9-7-8-10(11)12-9/h9H,2-8H2,1H3/t9-/m1/s1
- InChI Key
- IFYYFLINQYPWGJ-SECBINFHSA-N
- Formula
- C10H18O2
- SMILES
- CCCCCCC1CCC(=O)O1
- Molecular Weight1
- 170.25
- 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.
- Ip : Polar retention indices.
- Tboil : Normal Boiling Point Temperature (K).
- Tfus : Normal melting (fusion) point (K).
- 1: Molecular weight from the IUPAC atomic weights tables.
Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| ΔfH°gas | -500.31 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 24.16 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 70.91 | kJ/mol | Relay (1.0) Calculated Property |
| logPoct/wat | 2.662 | Crippen Calculated Property | |
| McVol | 148.340 | ml/mol | McGowan Calculated Property |
| Inp | [1471.00; 1471.00] |
|
|
| Inp | 1471.00 | NIST | |
| Inp | 1471.00 | NIST | |
| Ip | 2140.00 | NIST | |
| Tboil | 564.42 | K | Relay (1.0) Calculated Property |
| Tfus | 233.72 | K | Relay (1.0) Calculated Property |
Cheméo can also estimate 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 | [210.51; 523.08] | 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 | -3.10350e+01 | |||
| Coefficient B | 1.04992e+00 | |||
| Coefficient C | -6.45800e-04 | |||
| Coefficient D | 1.50000e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 210.51 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 266.22 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 315.57 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 359.05 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 397.12 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 430.27 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 458.97 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 483.69 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 504.90 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 523.09 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0030147; 0.0004493] | Pa×s | [262.73; 472.69] |
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 | -1.00897e+01 | |||
| Coefficient B | 1.12592e+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. | 262.73 | |||
| Temperature range, max. | 472.69 | |||
| η | 0.0030147 | Pa×s | 262.73 | Calculated Property |
| η | 0.0021255 | Pa×s | 286.06 | Calculated Property |
| η | 0.0015797 | Pa×s | 309.39 | Calculated Property |
| η | 0.0012239 | Pa×s | 332.72 | Calculated Property |
| η | 0.0009805 | Pa×s | 356.05 | Calculated Property |
| η | 0.0008072 | Pa×s | 379.38 | Calculated Property |
| η | 0.0006797 | Pa×s | 402.71 | Calculated Property |
| η | 0.0005832 | Pa×s | 426.03 | Calculated Property |
| η | 0.0005085 | Pa×s | 449.36 | Calculated Property |
| η | 0.0004493 | Pa×s | 472.69 | Calculated Property |
Similar Compounds
Find more compounds similar to (R)-«gamma»-decalactone.
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
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