- InChI
- InChI=1S/C10H20O2/c1-5-8(3)7-12-10(11)9(4)6-2/h8-9H,5-7H2,1-4H3/i2D3
- InChI Key
- PVYFCGRBIREQLL-BMSJAHLVSA-N
- Formula
- C10H20O2
- SMILES
-
[2H]C([2H])([2H])CC(C)C(=O)OCC
(C)CC - Molecular Weight1
- 175.29
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- η : Dynamic viscosity (Pa×s).
- 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).
- logPoct/wat : Octanol/Water partition coefficient.
- McVol : McGowan's characteristic volume (ml/mol).
- Ip : Polar retention indices.
- Tboil : Normal Boiling Point Temperature (K).
- 1: Molecular weight from the IUPAC atomic weights tables.
Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| ΔfH°gas | -807.73 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 18.98 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 53.00 | kJ/mol | Relay (1.0) Calculated Property |
| logPoct/wat | 2.622 | Crippen Calculated Property | |
| McVol | 159.200 | ml/mol | McGowan Calculated Property |
| Ip | [1283.00; 1283.00] |
|
|
| Ip | 1283.00 | NIST | |
| Ip | 1283.00 | NIST | |
| Tboil | 440.37 | K | Relay (1.0) Calculated Property |
Cheméo can also estimate Normal melting (fusion) point, Critical Temperature, Critical Pressure, Critical Volume, Standard Gibbs free energy of formation, Acentric Factor, Ionization energy, Log10 of Water solubility in mol/l for this compound, but they fall outside the models' validated range, so they are not shown here. Open the prediction tool to compute them on demand.
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [233.33; 544.42] | 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 | 1.58430e+01 | |||
| Coefficient B | 9.10880e-01 | |||
| Coefficient C | -4.32000e-04 | |||
| Coefficient D | 4.97000e-08 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 233.33 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 286.22 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 334.17 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 377.33 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 415.85 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 449.89 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 479.61 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 505.17 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 526.72 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 544.42 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0164923; 0.0002259] | Pa×s | [214.79; 463.51] |
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 | -1.21006e+01 | |||
| Coefficient B | 1.71740e+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. | 214.79 | |||
| Temperature range, max. | 463.51 | |||
| η | 0.0164923 | Pa×s | 214.79 | Calculated Property |
| η | 0.0066288 | Pa×s | 242.43 | Calculated Property |
| η | 0.0032107 | Pa×s | 270.06 | Calculated Property |
| η | 0.0017792 | Pa×s | 297.70 | Calculated Property |
| η | 0.0010899 | Pa×s | 325.33 | Calculated Property |
| η | 0.0007209 | Pa×s | 352.97 | Calculated Property |
| η | 0.0005064 | Pa×s | 380.60 | Calculated Property |
| η | 0.0003731 | Pa×s | 408.24 | Calculated Property |
| η | 0.0002857 | Pa×s | 435.87 | Calculated Property |
| η | 0.0002259 | Pa×s | 463.51 | Calculated Property |
Similar Compounds
Find more compounds similar to 2-methylbutyl 2-methylbutanoate-d-3.
Sources
- Cheméo Relay (1.0)
- Cheméo Relay (1.0, beta) Beta: served but experimental, data-limited and below our cross-validation release bar; the Joback value is recommended where available.
- Crippen Method
- Crippen Method
- Joback Method
- McGowan Method
- NIST Webbook
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