- InChI
- InChI=1S/C13H24O2/c1-2-3-4-5-6-7-9-12-10-8-11-13(14)15-12/h12H,2-11H2,1H3
- InChI Key
- RZZLMGATMUAJPX-UHFFFAOYSA-N
- Formula
- C13H24O2
- SMILES
- CCCCCCCCC1CCCC(=O)O1
- Molecular Weight1
- 212.33
- CAS
- 7370-92-5
- Other Names
-
- 6-Octyltetrahydro-2H-pyran-2-one
- tetrahydro-6-octyl-2H-pyran-2-one
- «delta»-Tridecalactone
- «delta»-Tridecanolide
- 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).
- logPoct/wat : Octanol/Water partition coefficient.
- McVol : McGowan's characteristic volume (ml/mol).
- Pc : Critical Pressure (kPa).
- I : 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 | 0.6453 | Relay (1.0) Calculated Property | |
| ΔfG° | -203.14 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -575.31 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 29.83 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 83.48 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.76 | eV | Relay (1.0) Calculated Property |
| logPoct/wat | 3.833 | Crippen Calculated Property | |
| McVol | 190.610 | ml/mol | McGowan Calculated Property |
| Pc | 1880.53 | kPa | Joback Calculated Property |
| I | [2565.00; 2565.00] |
|
|
| I | 2565.00 | NIST | |
| I | 2565.00 | NIST | |
| Tboil | 604.94 | K | Relay (1.0) Calculated Property |
| Tc | 776.29 | K | Relay (1.0) Calculated Property |
| Tfus | 263.79 | K | Relay (1.0) Calculated Property |
| Vc | 0.721 | m3/kmol | Relay (1.0) Calculated Property |
Cheméo can also estimate Log10 of Water solubility in mol/l for this compound, but it falls outside the models' validated range, so it is not shown here. Open the prediction tool to compute it on demand.
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [269.26; 679.64] | 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 | -3.88830e+01 | |||
| Coefficient B | 1.32532e+00 | |||
| Coefficient C | -7.62600e-04 | |||
| Coefficient D | 1.55800e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 269.26 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 341.44 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 405.82 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 462.90 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 513.17 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 557.12 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 595.26 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 628.06 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 656.02 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 679.64 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0039653; 0.0003456] | Pa×s | [293.02; 524.05] |
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 | -1.10648e+01 | |||
| Coefficient B | 1.62177e+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. | 293.02 | |||
| Temperature range, max. | 524.05 | |||
| η | 0.0039653 | Pa×s | 293.02 | Calculated Property |
| η | 0.0025390 | Pa×s | 318.69 | Calculated Property |
| η | 0.0017374 | Pa×s | 344.36 | Calculated Property |
| η | 0.0012532 | Pa×s | 370.03 | Calculated Property |
| η | 0.0009431 | Pa×s | 395.70 | Calculated Property |
| η | 0.0007347 | Pa×s | 421.37 | Calculated Property |
| η | 0.0005890 | Pa×s | 447.04 | Calculated Property |
| η | 0.0004837 | Pa×s | 472.71 | Calculated Property |
| η | 0.0004053 | Pa×s | 498.38 | Calculated Property |
| η | 0.0003456 | Pa×s | 524.05 | Calculated Property |
Similar Compounds
Find more compounds similar to 2H-Pyran-2-one, tetrahydro-6-octyl-.
Sources
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