- 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
- CAS
- 7370-44-7
- Other Names
-
- Hexadecalactone
- 2H-Pyran-2-one, tetrahydro-6-undecyl-
- tetrahydro-6-undecyl-2H-pyran-2-one
- 6-Undecyltetrahydro-2H-pyran-2-one
- 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.
- 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° | -100.42 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -638.05 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 36.52 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 95.23 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.82 | eV | Relay (1.0) Calculated Property |
| log10WS | -5.42 | Relay (1.0) Calculated Property | |
| logPoct/wat | 5.003 | Crippen Calculated Property | |
| McVol | 232.880 | ml/mol | McGowan Calculated Property |
| Pc | 1570.96 | kPa | Joback Calculated Property |
| Inp | [2141.90; 2154.00] |
|
|
| Inp | 2141.90 | NIST | |
| Inp | 2154.00 | NIST | |
| Inp | 2141.90 | NIST | |
| Inp | 2154.00 | NIST | |
| Tboil | 629.56 | K | Relay (1.0) Calculated Property |
| Tc | 804.38 | K | Relay (1.0) Calculated Property |
| Tfus | 292.45 | K | Relay (1.0) Calculated Property |
| Vc | 0.886 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [690.53; 798.85] | J/mol×K | [679.80; 874.67] |
|
| Cp,gas | 690.53 | J/mol×K | 679.80 | Joback Calculated Property |
| Cp,gas | 711.31 | J/mol×K | 712.28 | Joback Calculated Property |
| Cp,gas | 730.98 | J/mol×K | 744.76 | Joback Calculated Property |
| Cp,gas | 749.56 | J/mol×K | 777.24 | Joback Calculated Property |
| Cp,gas | 767.05 | J/mol×K | 809.71 | Joback Calculated Property |
| Cp,gas | 783.48 | J/mol×K | 842.19 | Joback Calculated Property |
| Cp,gas | 798.85 | J/mol×K | 874.67 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to «delta»-hexadecalactone.
Sources
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