- InChI
- InChI=1S/C8H16O2/c1-4-7(3)6-10-8(9)5-2/h7H,4-6H2,1-3H3/i1D3
- InChI Key
- MVJLYXCJBPXRCY-FIBGUPNXSA-N
- Formula
- C8H16O2
- SMILES
-
[2H]C([2H])([2H])CC(C)COC(=O)C
C - Molecular Weight1
- 147.23
- 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 | 0.5175 | Relay (1.0) Calculated Property | |
| ΔfG° | -296.33 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -749.54 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 17.32 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 48.40 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 10.31 | eV | Relay (1.0) Calculated Property |
| log10WS | -2.42 | Relay (1.0) Calculated Property | |
| logPoct/wat | 1.986 | Crippen Calculated Property | |
| McVol | 131.020 | ml/mol | McGowan Calculated Property |
| Pc | 2568.89 | kPa | Joback Calculated Property |
| I | [1192.00; 1192.00] |
|
|
| I | 1192.00 | NIST | |
| I | 1192.00 | NIST | |
| Tboil | 428.44 | K | Relay (1.0) Calculated Property |
| Tc | 757.03 | K | Relay (1.0) Calculated Property |
| Tfus | 208.61 | K | Relay (1.0) Calculated Property |
| Vc | 0.550 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [274.41; 344.48] | J/mol×K | [440.42; 615.93] |
|
| Cp,gas | 274.41 | J/mol×K | 440.42 | Joback Calculated Property |
| Cp,gas | 287.29 | J/mol×K | 469.67 | Joback Calculated Property |
| Cp,gas | 299.68 | J/mol×K | 498.92 | Joback Calculated Property |
| Cp,gas | 311.59 | J/mol×K | 528.18 | Joback Calculated Property |
| Cp,gas | 323.02 | J/mol×K | 557.43 | Joback Calculated Property |
| Cp,gas | 333.99 | J/mol×K | 586.68 | Joback Calculated Property |
| Cp,gas | 344.48 | J/mol×K | 615.93 | Joback Calculated Property |
| η | [0.0002347; 0.0105934] | Pa×s | [207.25; 440.42] |
|
| η | 0.0105934 | Pa×s | 207.25 | Joback Calculated Property |
| η | 0.0034009 | Pa×s | 246.11 | Joback Calculated Property |
| η | 0.0014885 | Pa×s | 284.97 | Joback Calculated Property |
| η | 0.0007943 | Pa×s | 323.83 | Joback Calculated Property |
| η | 0.0004850 | Pa×s | 362.70 | Joback Calculated Property |
| η | 0.0003258 | Pa×s | 401.56 | Joback Calculated Property |
| η | 0.0002347 | Pa×s | 440.42 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 2-methylbutyl-d-3 propionate.
Sources
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