- InChI
- InChI=1S/C16H30O2/c1-2-3-4-5-6-7-8-9-10-11-12-15-13-14-16(17)18-15/h15H,2-14H2,1H3
- InChI Key
- SRIFJCOBFTWCTM-UHFFFAOYSA-N
- Formula
- C16H30O2
- SMILES
- CCCCCCCCCCCCC1CCC(=O)O1
- Molecular Weight1
- 254.41
- CAS
- 730-46-1
- Other Names
-
- Hexadecanoic acid, 4-hydroxy-, «gamma»-lactone
- «gamma»-Palmitolactone
- «gamma»-Hexadecalactone
- Palmito-«gamma»-lactone
- 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.
- I : Polar retention indices.
- Tboil : Normal Boiling Point Temperature (K).
- Tfus : Normal melting (fusion) point (K).
- 1: Molecular weight from the IUPAC atomic weights tables.
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Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| ΔfH°gas | -626.30 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 39.70 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 97.80 | kJ/mol | Relay (1.0) Calculated Property |
| logPoct/wat | 5.003 | Crippen Calculated Property | |
| McVol | 232.880 | ml/mol | McGowan Calculated Property |
| Inp | [2104.30; 2120.00] |
|
|
| Inp | 2106.00 | NIST | |
| Inp | 2120.00 | NIST | |
| Inp | 2104.30 | NIST | |
| Inp | 2104.30 | NIST | |
| Inp | 2106.00 | NIST | |
| I | [2810.00; 2857.00] |
|
|
| I | 2810.00 | NIST | |
| I | 2857.00 | NIST | |
| I | 2857.00 | NIST | |
| I | 2857.00 | NIST | |
| I | 2810.00 | NIST | |
| Tboil | 621.24 | K | Relay (1.0) Calculated Property |
| Tfus | 289.72 | 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 | [337.80; 832.63] | 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 | -3.64890e+01 | |||
| Coefficient B | 1.61992e+00 | |||
| Coefficient C | -9.72200e-04 | |||
| Coefficient D | 2.21400e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 337.80 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 424.73 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 502.04 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 570.42 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 630.59 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 683.24 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 729.07 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 768.77 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 803.06 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 832.63 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0031398; 0.0003791] | Pa×s | [330.35; 562.83] |
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 | -1.08820e+01 | |||
| Coefficient B | 1.69088e+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. | 330.35 | |||
| Temperature range, max. | 562.83 | |||
| η | 0.0031398 | Pa×s | 330.35 | Calculated Property |
| η | 0.0021662 | Pa×s | 356.18 | Calculated Property |
| η | 0.0015714 | Pa×s | 382.01 | Calculated Property |
| η | 0.0011872 | Pa×s | 407.84 | Calculated Property |
| η | 0.0009274 | Pa×s | 433.68 | Calculated Property |
| η | 0.0007449 | Pa×s | 459.51 | Calculated Property |
| η | 0.0006124 | Pa×s | 485.34 | Calculated Property |
| η | 0.0005135 | Pa×s | 511.17 | Calculated Property |
| η | 0.0004380 | Pa×s | 537.00 | Calculated Property |
| η | 0.0003791 | Pa×s | 562.83 | Calculated Property |
Similar Compounds
Find more compounds similar to 2(3H)-Furanone, 5-dodecyldihydro-.
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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