- 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
- ω : Acentric Factor.
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- 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).
- log10WS : Log10 of Water solubility in mol/l.
- logPoct/wat : Octanol/Water partition coefficient.
- McVol : McGowan's characteristic volume (ml/mol).
- Pc : Critical Pressure (kPa).
- Inp : Non-polar retention indices.
- 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 | 0.7782 | Relay (1.0) Calculated Property | |
| ΔfG° | -88.32 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -626.30 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 38.62 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 95.99 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.90 | eV | Relay (1.0) Calculated Property |
| log10WS | -5.54 | Relay (1.0) Calculated Property | |
| logPoct/wat | 5.003 | Crippen Calculated Property | |
| McVol | 232.880 | ml/mol | McGowan Calculated Property |
| Pc | 1540.29 | kPa | Joback Calculated Property |
| Inp | [2104.30; 2120.00] |
|
|
| Inp | 2106.00 | NIST | |
| Inp | 2120.00 | NIST | |
| Inp | 2104.30 | NIST | |
| Inp | 2106.00 | NIST | |
| Inp | 2104.30 | 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 |
| Tc | 797.91 | K | Relay (1.0) Calculated Property |
| Tfus | 293.88 | K | Relay (1.0) Calculated Property |
| Vc | 0.901 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [687.36; 792.59] | J/mol×K | [675.53; 865.32] |
|
| Cp,gas | 687.36 | J/mol×K | 675.53 | Joback Calculated Property |
| Cp,gas | 707.39 | J/mol×K | 707.16 | Joback Calculated Property |
| Cp,gas | 726.40 | J/mol×K | 738.79 | Joback Calculated Property |
| Cp,gas | 744.40 | J/mol×K | 770.43 | Joback Calculated Property |
| Cp,gas | 761.43 | J/mol×K | 802.06 | Joback Calculated Property |
| Cp,gas | 777.48 | J/mol×K | 833.69 | Joback Calculated Property |
| Cp,gas | 792.59 | J/mol×K | 865.32 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 2(3H)-Furanone, 5-dodecyldihydro-.
Sources
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