- InChI
- InChI=1S/C16H32O2/c1-6-15(7-2)16(17)18-12-11-14(5)10-8-9-13(3)4/h13-15H,6-12H2,1-5H3
- InChI Key
- XIEJABOHANHRAF-UHFFFAOYSA-N
- Formula
- C16H32O2
- SMILES
- CCC(CC)C(=O)OCCC(C)CCCC(C)C
- Molecular Weight1
- 256.42
- 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).
- 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 |
|---|---|---|---|
| ω | 0.6999 | Relay (1.0) Calculated Property | |
| ΔfG° | -157.40 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -720.32 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 29.41 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 74.18 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.25 | eV | Relay (1.0) Calculated Property |
| log10WS | -5.10 | Relay (1.0) Calculated Property | |
| logPoct/wat | 4.818 | Crippen Calculated Property | |
| McVol | 243.740 | ml/mol | McGowan Calculated Property |
| Pc | 1388.15 | kPa | Joback Calculated Property |
| Inp | 1564.00 | NIST | |
| Tboil | 535.15 | K | Relay (1.0) Calculated Property |
| Tc | 716.31 | K | Relay (1.0) Calculated Property |
| Tfus | 208.13 | K | Relay (1.0) Calculated Property |
| Vc | 0.893 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [676.98; 777.26] | J/mol×K | [640.45; 814.89] | 
|
| Cp,gas | 676.98 | J/mol×K | 640.45 | Joback Calculated Property |
| Cp,gas | 695.74 | J/mol×K | 669.52 | Joback Calculated Property |
| Cp,gas | 713.66 | J/mol×K | 698.60 | Joback Calculated Property |
| Cp,gas | 730.76 | J/mol×K | 727.67 | Joback Calculated Property |
| Cp,gas | 747.04 | J/mol×K | 756.74 | Joback Calculated Property |
| Cp,gas | 762.54 | J/mol×K | 785.82 | Joback Calculated Property |
| Cp,gas | 777.26 | J/mol×K | 814.89 | Joback Calculated Property |
| η | [0.0000982; 0.0061918] | Pa×s | [297.24; 640.45] |
|
| η | 0.0061918 | Pa×s | 297.24 | Joback Calculated Property |
| η | 0.0017774 | Pa×s | 354.44 | Joback Calculated Property |
| η | 0.0007217 | Pa×s | 411.64 | Joback Calculated Property |
| η | 0.0003652 | Pa×s | 468.85 | Joback Calculated Property |
| η | 0.0002143 | Pa×s | 526.05 | Joback Calculated Property |
| η | 0.0001396 | Pa×s | 583.25 | Joback Calculated Property |
| η | 0.0000982 | Pa×s | 640.45 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 2-Ethylbutyric acid, 3,7-dimethyloctyl ester.
Sources
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