- InChI
- InChI=1S/C7H14O3/c1-4-9-6(3)7(8)10-5-2/h6H,4-5H2,1-3H3
- InChI Key
- UHKJHMOIRYZSTH-UHFFFAOYSA-N
- Formula
- C7H14O3
- SMILES
- CCOC(=O)C(C)OCC
- Molecular Weight1
- 146.18
- 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 | 0.4689 | Relay (1.0) Calculated Property | |
| ΔfG° | -409.75 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -652.44 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 15.92 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 51.47 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.63 | eV | Relay (1.0) Calculated Property |
| log10WS | -0.03 | Relay (1.0) Calculated Property | |
| logPoct/wat | 0.974 | Crippen Calculated Property | |
| McVol | 122.800 | ml/mol | McGowan Calculated Property |
| Pc | 2787.66 | kPa | Joback Calculated Property |
| Inp | [970.00; 991.00] |
|
|
| Inp | 991.00 | NIST | |
| Inp | 970.00 | NIST | |
| Inp | 991.00 | NIST | |
| Tboil | 416.07 | K | Relay (1.0) Calculated Property |
| Tc | 594.70 | K | Relay (1.0) Calculated Property |
| Tfus | 218.95 | K | Relay (1.0) Calculated Property |
| Vc | 0.468 | m3/kmol | Relay (1.0) Calculated Property |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [185.41; 407.61] | 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 | 4.57520e+01 | |||
| Coefficient B | 5.56760e-01 | |||
| Coefficient C | -1.54600e-04 | |||
| Coefficient D | -4.03000e-08 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 185.41 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 221.59 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 255.19 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 286.10 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 314.17 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 339.28 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 361.31 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 380.13 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 395.60 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 407.61 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0069081; 0.0002212] | Pa×s | [218.21; 431.51] |
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 | -1.19371e+01 | |||
| Coefficient B | 1.51919e+03 | |||
| Coefficient C | 0.00000e+00 | |||
| Coefficient D | 0.00000e+00 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 218.21 | |||
| Temperature range, max. | 431.51 | |||
| η | 0.0069081 | Pa×s | 218.21 | Calculated Property |
| η | 0.0034925 | Pa×s | 241.91 | Calculated Property |
| η | 0.0019942 | Pa×s | 265.61 | Calculated Property |
| η | 0.0012482 | Pa×s | 289.31 | Calculated Property |
| η | 0.0008387 | Pa×s | 313.01 | Calculated Property |
| η | 0.0005960 | Pa×s | 336.71 | Calculated Property |
| η | 0.0004430 | Pa×s | 360.41 | Calculated Property |
| η | 0.0003415 | Pa×s | 384.11 | Calculated Property |
| η | 0.0002714 | Pa×s | 407.81 | Calculated Property |
| η | 0.0002212 | Pa×s | 431.51 | Calculated Property |
Similar Compounds
Find more compounds similar to Ethyl 2-ethoxypropanoate.
Sources
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