- InChI
- InChI=1S/C16H32O2/c1-3-5-7-9-11-13-15-18-16(17)14-12-10-8-6-4-2/h3-15H2,1-2H3
- InChI Key
- DJNTZVRUYMHBTD-UHFFFAOYSA-N
- Formula
- C16H32O2
- SMILES
- CCCCCCCCOC(=O)CCCCCCC
- Molecular Weight1
- 256.42
- CAS
- 2306-88-9
- Other Names
-
- Octyl caprylate
- Octyl octanoate
- n-Octyl caprylate
- 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).
- 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).
- Pvap : Vapor 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 |
|---|---|---|---|
| ΔfG° | -150.08 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -618.37 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 39.98 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 60.37 | kJ/mol | Joback Calculated Property |
| log10WS | -5.38 | Crippen Calculated Property | |
| logPoct/wat | 5.251 | Crippen Calculated Property | |
| McVol | 243.740 | ml/mol | McGowan Calculated Property |
| Pc | 1363.65 | kPa | Joback Calculated Property |
| Inp | [1759.00; 1779.00] |
|
|
| Inp | 1767.00 | NIST | |
| Inp | 1771.00 | NIST | |
| Inp | 1759.00 | NIST | |
| Inp | 1763.00 | NIST | |
| Inp | 1779.00 | NIST | |
| Inp | 1767.00 | NIST | |
| Inp | 1779.00 | NIST | |
| I | [1998.00; 2020.00] |
|
|
| I | 1998.00 | NIST | |
| I | 2020.00 | NIST | |
| I | 1998.00 | NIST | |
| I | 2020.00 | NIST | |
| Tboil | [479.10; 580.00] | K |
|
| Tboil | 580.00 ± 1.00 | K | NIST |
| Tboil | 479.10 ± 3.00 | K | NIST |
| Tboil | 571.00 ± 6.00 | K | NIST |
| Tc | 809.14 | K | Joback Calculated Property |
| Tfus | [255.07; 263.00] | K |
|
| Tfus | 258.10 ± 1.00 | K | NIST |
| Tfus | 255.07 ± 0.20 | K | NIST |
| Tfus | 263.00 ± 4.00 | K | NIST |
| Vc | 0.956 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [675.85; 772.16] | J/mol×K | [641.77; 809.14] |
|
| Cp,gas | 675.85 | J/mol×K | 641.77 | Joback Calculated Property |
| Cp,gas | 693.74 | J/mol×K | 669.66 | Joback Calculated Property |
| Cp,gas | 710.87 | J/mol×K | 697.56 | Joback Calculated Property |
| Cp,gas | 727.27 | J/mol×K | 725.45 | Joback Calculated Property |
| Cp,gas | 742.94 | J/mol×K | 753.35 | Joback Calculated Property |
| Cp,gas | 757.90 | J/mol×K | 781.24 | Joback Calculated Property |
| Cp,gas | 772.16 | J/mol×K | 809.14 | Joback Calculated Property |
| η | [0.0001221; 0.0024033] | Pa×s | [342.24; 641.77] |
|
| η | 0.0024033 | Pa×s | 342.24 | Joback Calculated Property |
| η | 0.0010661 | Pa×s | 392.16 | Joback Calculated Property |
| η | 0.0005682 | Pa×s | 442.08 | Joback Calculated Property |
| η | 0.0003441 | Pa×s | 492.00 | Joback Calculated Property |
| η | 0.0002286 | Pa×s | 541.93 | Joback Calculated Property |
| η | 0.0001627 | Pa×s | 591.85 | Joback Calculated Property |
| η | 0.0001221 | Pa×s | 641.77 | Joback Calculated Property |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Pvap | [1.33; 202.65] | kPa | [440.96; 613.60] |
The Yaw...
|
| Equation | ln(Pvp) = A + B/(T + C) | |||
| Coefficient A | 1.51643e+01 | |||
| Coefficient B | -5.03702e+03 | |||
| Coefficient C | -1.02376e+02 | |||
| Temperature range, min. | 440.96 | |||
| Temperature range, max. | 613.60 | |||
| Pvap | 1.33 | kPa | 440.96 | Calculated Property |
| Pvap | 2.96 | kPa | 460.14 | Calculated Property |
| Pvap | 6.06 | kPa | 479.32 | Calculated Property |
| Pvap | 11.57 | kPa | 498.51 | Calculated Property |
| Pvap | 20.82 | kPa | 517.69 | Calculated Property |
| Pvap | 35.57 | kPa | 536.87 | Calculated Property |
| Pvap | 58.07 | kPa | 556.05 | Calculated Property |
| Pvap | 91.11 | kPa | 575.24 | Calculated Property |
| Pvap | 138.02 | kPa | 594.42 | Calculated Property |
| Pvap | 202.65 | kPa | 613.60 | Calculated Property |
Similar Compounds
Find more compounds similar to Octanoic acid, octyl ester.
Sources
- Crippen Method
- Crippen Method
- Joback Method
- McGowan Method
- NIST Webbook
- The Yaws Handbook of Vapor Pressure
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