- InChI
- InChI=1S/C13H26O2/c1-4-6-11-15-13(14)10-8-7-9-12(3)5-2/h12H,4-11H2,1-3H3
- InChI Key
- NDJNECCQUKGLOH-UHFFFAOYSA-N
- Formula
- C13H26O2
- SMILES
- CCCCOC(=O)CCCCC(C)CC
- Molecular Weight1
- 214.35
- 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 | 0.6811 | Relay (1.0) Calculated Property | |
| ΔfG° | -254.23 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -652.14 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 30.27 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 66.72 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.55 | eV | Relay (1.0) Calculated Property |
| log10WS | -4.20 | Relay (1.0) Calculated Property | |
| logPoct/wat | 3.936 | Crippen Calculated Property | |
| McVol | 201.470 | ml/mol | McGowan Calculated Property |
| Pc | 1661.90 | kPa | Joback Calculated Property |
| I | [1667.00; 1667.00] |
|
|
| I | 1667.00 | NIST | |
| I | 1667.00 | NIST | |
| Tboil | 517.37 | K | Relay (1.0) Calculated Property |
| Tc | 698.20 | K | Relay (1.0) Calculated Property |
| Tfus | 203.38 | K | Relay (1.0) Calculated Property |
| Vc | 0.755 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [507.45; 598.58] | J/mol×K | [554.82; 723.92] |
|
| Cp,gas | 507.45 | J/mol×K | 554.82 | Joback Calculated Property |
| Cp,gas | 524.35 | J/mol×K | 583.00 | Joback Calculated Property |
| Cp,gas | 540.56 | J/mol×K | 611.19 | Joback Calculated Property |
| Cp,gas | 556.07 | J/mol×K | 639.37 | Joback Calculated Property |
| Cp,gas | 570.90 | J/mol×K | 667.56 | Joback Calculated Property |
| Cp,gas | 585.07 | J/mol×K | 695.74 | Joback Calculated Property |
| Cp,gas | 598.58 | J/mol×K | 723.92 | Joback Calculated Property |
| η | [0.0001469; 0.0073059] | Pa×s | [263.60; 554.82] |
|
| η | 0.0073059 | Pa×s | 263.60 | Joback Calculated Property |
| η | 0.0022962 | Pa×s | 312.14 | Joback Calculated Property |
| η | 0.0009855 | Pa×s | 360.67 | Joback Calculated Property |
| η | 0.0005169 | Pa×s | 409.21 | Joback Calculated Property |
| η | 0.0003109 | Pa×s | 457.75 | Joback Calculated Property |
| η | 0.0002061 | Pa×s | 506.28 | Joback Calculated Property |
| η | 0.0001469 | Pa×s | 554.82 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to butyl 6-methyloctanoate.
Sources
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