- InChI
- InChI=1S/C16H30O2/c1-2-3-4-9-12-15-13-10-7-5-6-8-11-14-16(17)18-15/h15H,2-14H2,1H3
- InChI Key
- DNJTZERFZIMFQV-UHFFFAOYSA-N
- Formula
- C16H30O2
- SMILES
- CCCCCCC1CCCCCCCCC(=O)O1
- Molecular Weight1
- 254.41
- 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).
- 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 | 0.5754 | Relay (1.0) Calculated Property | |
| ΔfG° | -238.38 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -651.51 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 27.10 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 90.06 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.66 | eV | Relay (1.0) Calculated Property |
| log10WS | -4.97 | Relay (1.0) Calculated Property | |
| logPoct/wat | 5.003 | Crippen Calculated Property | |
| McVol | 232.880 | ml/mol | McGowan Calculated Property |
| Pc | 1640.43 | kPa | Joback Calculated Property |
| Inp | [1904.50; 1904.50] |
|
|
| Inp | 1904.50 | NIST | |
| Inp | 1904.50 | NIST | |
| Tboil | 649.11 | K | Relay (1.0) Calculated Property |
| Tc | 827.13 | K | Relay (1.0) Calculated Property |
| Tfus | 283.98 | K | Relay (1.0) Calculated Property |
| Vc | 0.819 | m3/kmol | Relay (1.0) Calculated Property |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [308.44; 843.30] | 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 | -6.72150e+01 | |||
| Coefficient B | 1.56232e+00 | |||
| Coefficient C | -6.93800e-04 | |||
| Coefficient D | 4.20000e-08 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 308.44 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 400.52 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 484.13 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 559.40 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 626.46 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 685.44 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 736.49 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 779.73 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 815.29 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 843.31 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0076889; 0.0000715] | Pa×s | [309.23; 602.68] |
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 | -1.44760e+01 | |||
| Coefficient B | 2.97110e+03 | |||
| Coefficient C | 0.00000e+00 | |||
| Coefficient D | 0.00000e+00 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 309.23 | |||
| Temperature range, max. | 602.68 | |||
| η | 0.0076889 | Pa×s | 309.23 | Calculated Property |
| η | 0.0030751 | Pa×s | 341.84 | Calculated Property |
| η | 0.0014427 | Pa×s | 374.44 | Calculated Property |
| η | 0.0007641 | Pa×s | 407.05 | Calculated Property |
| η | 0.0004447 | Pa×s | 439.65 | Calculated Property |
| η | 0.0002789 | Pa×s | 472.26 | Calculated Property |
| η | 0.0001858 | Pa×s | 504.86 | Calculated Property |
| η | 0.0001300 | Pa×s | 537.47 | Calculated Property |
| η | 0.0000948 | Pa×s | 570.07 | Calculated Property |
| η | 0.0000715 | Pa×s | 602.68 | Calculated Property |
Similar Compounds
Find more compounds similar to 10-Oxahexadecanolide.
Sources
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