- InChI
- InChI=1S/C16H30O2/c1-2-3-4-5-6-7-8-9-10-12-15-13-11-14-16(17)18-15/h15H,2-14H2,1H3
- InChI Key
- ZMJKQSSFLIFELJ-UHFFFAOYSA-N
- Formula
- C16H30O2
- SMILES
- CCCCCCCCCCCC1CCCC(=O)O1
- Molecular Weight1
- 254.41
- Other Names
-
- Hexadecalactone
- 2H-Pyran-2-one, tetrahydro-6-undecyl-
- tetrahydro-6-undecyl-2H-pyran-2-one
- 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).
- 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 | 0.7539 | Relay (1.0) Calculated Property | |
| ΔfG° | -177.88 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -638.05 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 37.60 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 97.03 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.82 | eV | Relay (1.0) Calculated Property |
| logPoct/wat | 5.003 | Crippen Calculated Property | |
| McVol | 232.880 | ml/mol | McGowan Calculated Property |
| Pc | 1486.14 | kPa | Joback Calculated Property |
| Inp | [2141.90; 2154.00] |
|
|
| Inp | 2141.90 | NIST | |
| Inp | 2141.90 | NIST | |
| Inp | 2154.00 | NIST | |
| Inp | 2154.00 | NIST | |
| Tboil | 629.56 | K | Relay (1.0) Calculated Property |
| Tc | 807.56 | K | Relay (1.0) Calculated Property |
| Tfus | 288.38 | K | Relay (1.0) Calculated Property |
| Vc | 0.890 | 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 | [332.90; 834.41] | 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 | -4.16100e+01 | |||
| Coefficient B | 1.61032e+00 | |||
| Coefficient C | -9.25800e-04 | |||
| Coefficient D | 1.91500e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 332.90 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 420.69 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 499.05 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 568.59 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 629.90 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 683.61 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 730.30 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 770.60 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 805.10 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 834.41 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0035013; 0.0002932] | Pa×s | [326.83; 569.03] |
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 | -1.14810e+01 | |||
| Coefficient B | 1.90425e+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. | 326.83 | |||
| Temperature range, max. | 569.03 | |||
| η | 0.0035013 | Pa×s | 326.83 | Calculated Property |
| η | 0.0022477 | Pa×s | 353.74 | Calculated Property |
| η | 0.0015362 | Pa×s | 380.65 | Calculated Property |
| η | 0.0011041 | Pa×s | 407.56 | Calculated Property |
| η | 0.0008266 | Pa×s | 434.47 | Calculated Property |
| η | 0.0006402 | Pa×s | 461.38 | Calculated Property |
| η | 0.0005099 | Pa×s | 488.29 | Calculated Property |
| η | 0.0004160 | Pa×s | 515.21 | Calculated Property |
| η | 0.0003462 | Pa×s | 542.12 | Calculated Property |
| η | 0.0002932 | Pa×s | 569.03 | Calculated Property |
Similar Compounds
Find more compounds similar to 6-Undecyltetrahydro-2H-pyran-2-one.
Sources
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