- InChI
- InChI=1S/C16H30O2/c1-2-3-4-5-6-7-8-9-12-15-13-10-11-14-16(17)18-15/h15H,2-14H2,1H3
- InChI Key
- JDBCCUBGERLOBZ-UHFFFAOYSA-N
- Formula
- C16H30O2
- SMILES
- CCCCCCCCCCC1CCCCC(=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).
- 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 | 0.7242 | Relay (1.0) Calculated Property | |
| ΔfG° | -189.98 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -638.19 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 35.50 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 95.73 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.78 | eV | Relay (1.0) Calculated Property |
| log10WS | -5.34 | Relay (1.0) Calculated Property | |
| logPoct/wat | 5.003 | Crippen Calculated Property | |
| McVol | 232.880 | ml/mol | McGowan Calculated Property |
| Pc | 1515.21 | kPa | Joback Calculated Property |
| I | [2903.00; 2903.00] |
|
|
| I | 2903.00 | NIST | |
| I | 2903.00 | NIST | |
| Tboil | 629.98 | K | Relay (1.0) Calculated Property |
| Tc | 810.42 | K | Relay (1.0) Calculated Property |
| Tfus | 290.86 | K | Relay (1.0) Calculated Property |
| Vc | 0.876 | m3/kmol | Relay (1.0) Calculated Property |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [328.01; 836.19] | 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 | -4.67310e+01 | |||
| Coefficient B | 1.60072e+00 | |||
| Coefficient C | -8.79400e-04 | |||
| Coefficient D | 1.61600e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 328.01 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 416.66 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 496.07 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 566.75 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 629.21 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 683.97 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 731.54 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 772.43 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 807.14 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 836.19 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0039651; 0.0002249] | Pa×s | [323.31; 575.39] |
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 | -1.20800e+01 | |||
| Coefficient B | 2.11762e+03 | |||
| Coefficient C | 0.00000e+00 | |||
| Coefficient D | 0.00000e+00 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 323.31 | |||
| Temperature range, max. | 575.39 | |||
| η | 0.0039651 | Pa×s | 323.31 | Calculated Property |
| η | 0.0023522 | Pa×s | 351.32 | Calculated Property |
| η | 0.0015072 | Pa×s | 379.33 | Calculated Property |
| η | 0.0010268 | Pa×s | 407.34 | Calculated Property |
| η | 0.0007349 | Pa×s | 435.35 | Calculated Property |
| η | 0.0005477 | Pa×s | 463.36 | Calculated Property |
| η | 0.0004221 | Pa×s | 491.36 | Calculated Property |
| η | 0.0003345 | Pa×s | 519.37 | Calculated Property |
| η | 0.0002715 | Pa×s | 547.38 | Calculated Property |
| η | 0.0002249 | Pa×s | 575.39 | Calculated Property |
Similar Compounds
Find more compounds similar to 6-heptadecalactone.
Sources
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