- InChI
- InChI=1S/C15H30O2/c1-4-6-8-9-11-13-15(16)17-14(3)12-10-7-5-2/h14H,4-13H2,1-3H3
- InChI Key
- UKPOONOGHLYURR-UHFFFAOYSA-N
- Formula
- C15H30O2
- SMILES
- CCCCCCCC(=O)OC(C)CCCCC
- Molecular Weight1
- 242.40
- CAS
- 55193-32-3
- Other Names
-
- 1-Methylhexyl 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).
- 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 | 0.7577 | Relay (... Calculated Property | |
| ΔfG° | -160.94 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -692.85 | kJ/mol | Relay (... Calculated Property |
| ΔfusH° | 33.87 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 72.73 | kJ/mol | Relay (... Calculated Property |
| IE | 9.61 | eV | Relay (... Calculated Property |
| log10WS | -4.82 | Relay (... Calculated Property | |
| logPoct/wat | 4.859 | Crippen Calculated Property | |
| McVol | 229.650 | ml/mol | McGowan Calculated Property |
| Pc | 1474.75 | kPa | Joback Calculated Property |
| I | [1772.00; 1788.00] |
|
|
| I | 1788.00 | NIST | |
| I | 1772.00 | NIST | |
| I | 1788.00 | NIST | |
| Tboil | 525.54 | K | Relay (... Calculated Property |
| Tc | 711.77 | K | Relay (... Calculated Property |
| Tfus | 236.68 | K | Relay (... Calculated Property |
| Vc | 0.884 | m3/kmol | Relay (... Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [621.09; 716.38] | J/mol×K | [618.45; 788.43] |
|
| Cp,gas | 621.09 | J/mol×K | 618.45 | Joback Calculated Property |
| Cp,gas | 638.80 | J/mol×K | 646.78 | Joback Calculated Property |
| Cp,gas | 655.75 | J/mol×K | 675.11 | Joback Calculated Property |
| Cp,gas | 671.98 | J/mol×K | 703.44 | Joback Calculated Property |
| Cp,gas | 687.48 | J/mol×K | 731.77 | Joback Calculated Property |
| Cp,gas | 702.28 | J/mol×K | 760.10 | Joback Calculated Property |
| Cp,gas | 716.38 | J/mol×K | 788.43 | Joback Calculated Property |
| η | [0.0001278; 0.0034492] | Pa×s | [315.97; 618.45] |
|
| η | 0.0034492 | Pa×s | 315.97 | Joback Calculated Property |
| η | 0.0013649 | Pa×s | 366.38 | Joback Calculated Property |
| η | 0.0006759 | Pa×s | 416.80 | Joback Calculated Property |
| η | 0.0003895 | Pa×s | 467.21 | Joback Calculated Property |
| η | 0.0002499 | Pa×s | 517.62 | Joback Calculated Property |
| η | 0.0001735 | Pa×s | 568.04 | Joback Calculated Property |
| η | 0.0001278 | Pa×s | 618.45 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 2-heptyl octanoate.
Sources
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