- InChI
- InChI=1S/C16H24O2/c1-4-5-6-7-8-9-16(17)18-15-11-13(2)10-14(3)12-15/h10-12H,4-9H2,1-3H3
- InChI Key
- WQSWUBODLKASOP-UHFFFAOYSA-N
- Formula
- C16H24O2
- SMILES
- CCCCCCCC(=O)Oc1cc(C)cc(C)c1
- Molecular Weight1
- 248.36
- 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).
- 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 |
|---|---|---|---|
| ΔfG° | -56.93 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -404.78 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 33.25 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 63.97 | kJ/mol | Joback Calculated Property |
| log10WS | -5.25 | Crippen Calculated Property | |
| logPoct/wat | 4.569 | Crippen Calculated Property | |
| McVol | 219.980 | ml/mol | McGowan Calculated Property |
| Pc | 1726.03 | kPa | Joback Calculated Property |
| Inp | [1836.00; 1836.00] |
|
|
| Inp | 1836.00 | NIST | |
| Inp | 1836.00 | NIST | |
| Tboil | 678.41 | K | Joback Calculated Property |
| Tc | 875.38 | K | Joback Calculated Property |
| Tfus | 393.70 | K | Joback Calculated Property |
| Vc | 0.848 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [599.40; 687.35] | J/mol×K | [678.41; 875.38] |
|
| Cp,gas | 599.40 | J/mol×K | 678.41 | Joback Calculated Property |
| Cp,gas | 616.26 | J/mol×K | 711.24 | Joback Calculated Property |
| Cp,gas | 632.21 | J/mol×K | 744.07 | Joback Calculated Property |
| Cp,gas | 647.27 | J/mol×K | 776.90 | Joback Calculated Property |
| Cp,gas | 661.47 | J/mol×K | 809.73 | Joback Calculated Property |
| Cp,gas | 674.82 | J/mol×K | 842.55 | Joback Calculated Property |
| Cp,gas | 687.35 | J/mol×K | 875.38 | Joback Calculated Property |
| η | [0.0001204; 0.0011489] | Pa×s | [393.70; 678.41] |
|
| η | 0.0011489 | Pa×s | 393.70 | Joback Calculated Property |
| η | 0.0006444 | Pa×s | 441.15 | Joback Calculated Property |
| η | 0.0004044 | Pa×s | 488.60 | Joback Calculated Property |
| η | 0.0002756 | Pa×s | 536.05 | Joback Calculated Property |
| η | 0.0002000 | Pa×s | 583.51 | Joback Calculated Property |
| η | 0.0001522 | Pa×s | 630.96 | Joback Calculated Property |
| η | 0.0001204 | Pa×s | 678.41 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Octanoic acid, 3,5-dimethylphenyl ester.
Sources
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