![ethyl [2H5]mevalonate](/cid/31-767-6/ethyl-2H5-mevalonate.png "ethyl [2H5]mevalonate")
- InChI
- InChI=1S/C8H16O3/c1-4-8(3,10)6-7(9)11-5-2/h10H,4-6H2,1-3H3/t8-/m0/s1/i2D3,5D2
- InChI Key
- UXFYCPBPDSDURL-BYQYRNLZSA-N
- Formula
- C8H11D5O3
- SMILES
- CCOC(=O)CC(C)(O)CC
- Molecular Weight1
- 165.24
- 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 | 0.6740 | Relay (1.0) Calculated Property | |
| ΔfG° | -427.87 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -741.68 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 17.52 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 68.04 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.85 | eV | Relay (1.0) Calculated Property |
| log10WS | -0.35 | Relay (1.0) Calculated Property | |
| logPoct/wat | 1.101 | Crippen Calculated Property | |
| McVol | 136.890 | ml/mol | McGowan Calculated Property |
| Pc | 2859.68 | kPa | Joback Calculated Property |
| Inp | 1500.00 | NIST | |
| Tboil | 458.63 | K | Relay (1.0) Calculated Property |
| Tc | 655.18 | K | Relay (1.0) Calculated Property |
| Tfus | 258.25 | K | Relay (1.0) Calculated Property |
| Vc | 0.509 | m3/kmol | Relay (1.0) Calculated Property |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [202.57; 460.30] | 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 | 1.84300e+00 | |||
| Coefficient B | 8.68860e-01 | |||
| Coefficient C | -5.19000e-04 | |||
| Coefficient D | 1.08600e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 202.57 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 249.08 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 290.32 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 326.63 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 358.36 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 385.85 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 409.45 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 429.49 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 446.33 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 460.30 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0262887; 0.0001710] | Pa×s | [285.49; 493.18] |
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 | -1.55955e+01 | |||
| Coefficient B | 3.41357e+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. | 285.49 | |||
| Temperature range, max. | 493.18 | |||
| η | 0.0262887 | Pa×s | 285.49 | Calculated Property |
| η | 0.0107500 | Pa×s | 308.57 | Calculated Property |
| η | 0.0049785 | Pa×s | 331.64 | Calculated Property |
| η | 0.0025485 | Pa×s | 354.72 | Calculated Property |
| η | 0.0014158 | Pa×s | 377.80 | Calculated Property |
| η | 0.0008416 | Pa×s | 400.88 | Calculated Property |
| η | 0.0005294 | Pa×s | 423.95 | Calculated Property |
| η | 0.0003494 | Pa×s | 447.03 | Calculated Property |
| η | 0.0002402 | Pa×s | 470.11 | Calculated Property |
| η | 0.0001710 | Pa×s | 493.18 | Calculated Property |
Similar Compounds
Find more compounds similar to ethyl [2H5]mevalonate.
Sources
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