- InChI
- InChI=1S/C16H32O2/c1-4-6-8-10-12-14-16(17)18-15(3)13-11-9-7-5-2/h15H,4-14H2,1-3H3
- InChI Key
- RUYSQUUOTCIKAT-UHFFFAOYSA-N
- Formula
- C16H32O2
- SMILES
- CCCCCCCC(=O)OC(C)CCCCCC
- Molecular Weight1
- 256.43
- Other Names
-
- sec-octyl octanoate
- 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).
- 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 | 0.7933 | Relay (1.0) Calculated Property | |
| ΔfG° | -228.97 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -711.52 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 38.04 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 78.89 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.64 | eV | Relay (1.0) Calculated Property |
| log10WS | -5.19 | Relay (1.0) Calculated Property | |
| logPoct/wat | 5.249 | Crippen Calculated Property | |
| McVol | 243.740 | ml/mol | McGowan Calculated Property |
| Pc | 1331.01 | kPa | Joback Calculated Property |
| Tboil | 538.65 | K | Relay (1.0) Calculated Property |
| Tc | 729.23 | K | Relay (1.0) Calculated Property |
| Tfus | 243.80 | K | Relay (1.0) Calculated Property |
| Vc | 0.944 | m3/kmol | Relay (1.0) Calculated Property |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [360.92; 853.43] | 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 | 1.20710e+01 | |||
| Coefficient B | 1.47496e+00 | |||
| Coefficient C | -7.55200e-04 | |||
| Coefficient D | 1.21600e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 360.92 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 444.74 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 520.39 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 588.25 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 648.71 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 702.15 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 748.96 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 789.52 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 824.21 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 853.43 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0053365; 0.0001626] | Pa×s | [297.41; 553.38] |
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 | -1.27801e+01 | |||
| Coefficient B | 2.24454e+03 | |||
| Coefficient C | 0.00000e+00 | |||
| Coefficient D | 0.00000e+00 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 297.41 | |||
| Temperature range, max. | 553.38 | |||
| η | 0.0053365 | Pa×s | 297.41 | Calculated Property |
| η | 0.0027617 | Pa×s | 325.85 | Calculated Property |
| η | 0.0015887 | Pa×s | 354.29 | Calculated Property |
| η | 0.0009921 | Pa×s | 382.73 | Calculated Property |
| η | 0.0006613 | Pa×s | 411.17 | Calculated Property |
| η | 0.0004645 | Pa×s | 439.61 | Calculated Property |
| η | 0.0003406 | Pa×s | 468.06 | Calculated Property |
| η | 0.0002588 | Pa×s | 496.50 | Calculated Property |
| η | 0.0002026 | Pa×s | 524.94 | Calculated Property |
| η | 0.0001626 | Pa×s | 553.38 | Calculated Property |
Similar Compounds
Find more compounds similar to Octanoic acid, 2-octyl ester.
Sources
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