- InChI
- InChI=1S/C17H34O2/c1-4-6-8-10-12-14-16(3)19-17(18)15-13-11-9-7-5-2/h16H,4-15H2,1-3H3
- InChI Key
- OHAICYQKNMRREW-UHFFFAOYSA-N
- Formula
- C17H34O2
- SMILES
- CCCCCCCC(=O)OC(C)CCCCCCC
- Molecular Weight1
- 270.46
- 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 | 0.8289 | Relay (1.0) Calculated Property | |
| ΔfG° | -220.55 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -731.33 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 40.63 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 82.62 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.64 | eV | Relay (1.0) Calculated Property |
| log10WS | -5.54 | Relay (1.0) Calculated Property | |
| logPoct/wat | 5.639 | Crippen Calculated Property | |
| McVol | 257.830 | ml/mol | McGowan Calculated Property |
| Pc | 1242.46 | kPa | Joback Calculated Property |
| I | [1982.00; 1982.00] |
|
|
| I | 1982.00 | NIST | |
| I | 1982.00 | NIST | |
| Tboil | 550.73 | K | Relay (1.0) Calculated Property |
| Tc | 741.01 | K | Relay (1.0) Calculated Property |
| Tfus | 251.30 | K | Relay (1.0) Calculated Property |
| Vc | 1.000 | m3/kmol | Relay (1.0) Calculated Property |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [382.14; 905.02] | 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 | 1.11620e+01 | |||
| Coefficient B | 1.56996e+00 | |||
| Coefficient C | -8.09600e-04 | |||
| Coefficient D | 1.33500e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 382.14 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 471.16 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 551.47 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 623.48 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 687.62 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 744.31 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 793.98 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 837.03 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 873.91 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 905.02 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0047508; 0.0001480] | Pa×s | [308.68; 569.37] |
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 | -1.29259e+01 | |||
| Coefficient B | 2.33870e+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. | 308.68 | |||
| Temperature range, max. | 569.37 | |||
| η | 0.0047508 | Pa×s | 308.68 | Calculated Property |
| η | 0.0024803 | Pa×s | 337.65 | Calculated Property |
| η | 0.0014349 | Pa×s | 366.61 | Calculated Property |
| η | 0.0008994 | Pa×s | 395.58 | Calculated Property |
| η | 0.0006009 | Pa×s | 424.54 | Calculated Property |
| η | 0.0004227 | Pa×s | 453.51 | Calculated Property |
| η | 0.0003101 | Pa×s | 482.47 | Calculated Property |
| η | 0.0002357 | Pa×s | 511.44 | Calculated Property |
| η | 0.0001844 | Pa×s | 540.40 | Calculated Property |
| η | 0.0001480 | Pa×s | 569.37 | Calculated Property |
Similar Compounds
Find more compounds similar to 2-nonyl octanoate.
Sources
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