- InChI
- InChI=1S/C9H18O2/c1-7(2)5-6-8(3)9(10)11-4/h7-8H,5-6H2,1-4H3
- InChI Key
- VZZWXHWOLMCDOT-UHFFFAOYSA-N
- Formula
- C9H18O2
- SMILES
- COC(=O)C(C)CCC(C)C
- Molecular Weight1
- 158.24
- 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 | 0.4772 | Relay (1.0) Calculated Property | |
| ΔfG° | -290.35 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -554.87 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 16.39 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 52.89 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.73 | eV | Relay (1.0) Calculated Property |
| log10WS | -2.57 | Relay (1.0) Calculated Property | |
| logPoct/wat | 2.232 | Crippen Calculated Property | |
| McVol | 145.110 | ml/mol | McGowan Calculated Property |
| Pc | 2354.20 | kPa | Joback Calculated Property |
| Inp | 1048.00 | NIST | |
| Tboil | 421.22 | K | Relay (1.0) Calculated Property |
| Tc | 618.72 | K | Relay (1.0) Calculated Property |
| Tfus | 219.25 | K | Relay (1.0) Calculated Property |
| Vc | 0.532 | m3/kmol | Relay (1.0) Calculated Property |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [212.11; 492.83] | 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 | 1.67520e+01 | |||
| Coefficient B | 8.15880e-01 | |||
| Coefficient C | -3.77600e-04 | |||
| Coefficient D | 3.78000e-08 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 212.11 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 259.81 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 303.09 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 342.10 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 376.93 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 407.73 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 434.59 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 457.65 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 477.03 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 492.83 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0178089; 0.0002282] | Pa×s | [203.52; 448.56] |
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 | -1.20039e+01 | |||
| Coefficient B | 1.62324e+03 | |||
| Coefficient C | 0.00000e+00 | |||
| Coefficient D | 0.00000e+00 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 203.52 | |||
| Temperature range, max. | 448.56 | |||
| η | 0.0178089 | Pa×s | 203.52 | Calculated Property |
| η | 0.0069490 | Pa×s | 230.75 | Calculated Property |
| η | 0.0033073 | Pa×s | 257.97 | Calculated Property |
| η | 0.0018138 | Pa×s | 285.20 | Calculated Property |
| η | 0.0011046 | Pa×s | 312.43 | Calculated Property |
| η | 0.0007283 | Pa×s | 339.65 | Calculated Property |
| η | 0.0005108 | Pa×s | 366.88 | Calculated Property |
| η | 0.0003763 | Pa×s | 394.11 | Calculated Property |
| η | 0.0002884 | Pa×s | 421.34 | Calculated Property |
| η | 0.0002282 | Pa×s | 448.56 | Calculated Property |
Similar Compounds
Find more compounds similar to methyl 2,5-dimethylhexanoate.
Sources
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