- InChI
- InChI=1S/C13H26O2/c1-4-6-8-12(3)9-10-13(14)15-11-7-5-2/h12H,4-11H2,1-3H3
- InChI Key
- UKHQNVFHFJBYHL-UHFFFAOYSA-N
- Formula
- C13H26O2
- SMILES
- CCCCOC(=O)CCC(C)CCCC
- Molecular Weight1
- 214.34
- 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 | 0.6754 | Relay (1.0) Calculated Property | |
| ΔfG° | -254.23 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -640.67 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 30.27 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 67.06 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.44 | eV | Relay (1.0) Calculated Property |
| log10WS | -4.15 | 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 | [1655.00; 1655.00] |
|
|
| I | 1655.00 | NIST | |
| I | 1655.00 | NIST | |
| Tboil | 513.01 | K | Relay (1.0) Calculated Property |
| Tc | 693.46 | K | Relay (1.0) Calculated Property |
| Tfus | 191.11 | K | Relay (1.0) Calculated Property |
| Vc | 0.754 | m3/kmol | Relay (1.0) Calculated Property |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [297.28; 698.66] | 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 | 1.47980e+01 | |||
| Coefficient B | 1.18996e+00 | |||
| Coefficient C | -5.92000e-04 | |||
| Coefficient D | 8.59000e-08 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 297.28 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 365.49 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 427.16 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 482.56 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 531.98 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 575.67 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 613.91 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 646.97 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 675.13 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 698.66 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0073059; 0.0002054] | Pa×s | [263.60; 506.75] |
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 | -1.23624e+01 | |||
| Coefficient B | 1.96206e+03 | |||
| Coefficient C | 0.00000e+00 | |||
| Coefficient D | 0.00000e+00 | |||
| Coefficient E | 0.00000e+00 | |||
| Comment | Liquid phase. Joback/Reid (1987), valid from Tf to 0.7·Tc. | |||
| Temperature range, min. | 263.60 | |||
| Temperature range, max. | 506.75 | |||
| η | 0.0073059 | Pa×s | 263.60 | Calculated Property |
| η | 0.0036573 | Pa×s | 290.62 | Calculated Property |
| η | 0.0020596 | Pa×s | 317.63 | Calculated Property |
| η | 0.0012691 | Pa×s | 344.65 | Calculated Property |
| η | 0.0008390 | Pa×s | 371.67 | Calculated Property |
| η | 0.0005867 | Pa×s | 398.68 | Calculated Property |
| η | 0.0004293 | Pa×s | 425.70 | Calculated Property |
| η | 0.0003261 | Pa×s | 452.71 | Calculated Property |
| η | 0.0002555 | Pa×s | 479.73 | Calculated Property |
| η | 0.0002054 | Pa×s | 506.75 | Calculated Property |
Similar Compounds
Find more compounds similar to Butyl 4-methyloctanoate.
Sources
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