- InChI
- InChI=1S/C8H16O3/c1-5-10-7(9)11-6-8(2,3)4/h5-6H2,1-4H3
- InChI Key
- DXGMUSVPWXDDID-UHFFFAOYSA-N
- Formula
- C8H16O3
- SMILES
- CCOC(=O)OCC(C)(C)C
- Molecular Weight1
- 160.21
- 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 | 0.5066 | Relay (1.0) Calculated Property | |
| ΔfG° | -396.05 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -714.22 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 14.62 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 57.06 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.95 | eV | Relay (1.0) Calculated Property |
| log10WS | -2.24 | Relay (1.0) Calculated Property | |
| logPoct/wat | 2.206 | Crippen Calculated Property | |
| McVol | 136.890 | ml/mol | McGowan Calculated Property |
| Pc | 2553.34 | kPa | Joback Calculated Property |
| Inp | 972.00 | NIST | |
| Tboil | 439.36 | K | Relay (1.0) Calculated Property |
| Tc | 589.12 | K | Relay (1.0) Calculated Property |
| Tfus | 239.33 | K | Relay (1.0) Calculated Property |
| Vc | 0.524 | m3/kmol | Relay (1.0) Calculated Property |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [205.47; 460.13] | 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 | 2.20520e+01 | |||
| Coefficient B | 7.71680e-01 | |||
| Coefficient C | -3.77600e-04 | |||
| Coefficient D | 4.40000e-08 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 205.47 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 249.74 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 289.70 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 325.47 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 357.20 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 385.03 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 409.10 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 429.55 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 446.51 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 460.13 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0061641; 0.0002240] | Pa×s | [246.90; 449.45] |
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 | -1.24445e+01 | |||
| Coefficient B | 1.81607e+03 | |||
| Coefficient C | 0.00000e+00 | |||
| Coefficient D | 0.00000e+00 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 246.90 | |||
| Temperature range, max. | 449.45 | |||
| η | 0.0061641 | Pa×s | 246.90 | Calculated Property |
| η | 0.0033344 | Pa×s | 269.41 | Calculated Property |
| η | 0.0019829 | Pa×s | 291.91 | Calculated Property |
| η | 0.0012703 | Pa×s | 314.42 | Calculated Property |
| η | 0.0008637 | Pa×s | 336.92 | Calculated Property |
| η | 0.0006163 | Pa×s | 359.43 | Calculated Property |
| η | 0.0004576 | Pa×s | 381.93 | Calculated Property |
| η | 0.0003512 | Pa×s | 404.44 | Calculated Property |
| η | 0.0002772 | Pa×s | 426.95 | Calculated Property |
| η | 0.0002240 | Pa×s | 449.45 | Calculated Property |
Similar Compounds
Find more compounds similar to Ethyl neopentyl carbonate.
Sources
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