- InChI
- InChI=1S/C8H14O5/c1-3-12-8(11)7(4-9)5-13-6(2)10/h7,9H,3-5H2,1-2H3
- InChI Key
- WFTLWYCUWKENDL-UHFFFAOYSA-N
- Formula
- C8H14O5
- SMILES
- CCOC(=O)C(CO)COC(C)=O
- Molecular Weight1
- 190.19
- CAS
- 125476-48-4
- Other Names
-
- Ethyl 3-(acetyloxy)-2-(hydroxymethyl)propanoate, (+)-
- Ethyl propanoic acid, 3-(acetyloxy)-2-(hydroxymethyl)-
- 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 | 0.7473 | Relay (1.0) Calculated Property | |
| ΔfG° | -743.52 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -1000.25 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 25.78 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 84.30 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.78 | eV | Relay (1.0) Calculated Property |
| log10WS | -0.17 | Relay (1.0) Calculated Property | |
| logPoct/wat | -0.279 | Crippen Calculated Property | |
| McVol | 144.330 | ml/mol | McGowan Calculated Property |
| Pc | 2841.41 | kPa | Joback Calculated Property |
| Inp | [1308.00; 1308.00] |
|
|
| Inp | 1308.00 | NIST | |
| Inp | 1308.00 | NIST | |
| Tboil | 534.68 | K | Relay (1.0) Calculated Property |
| Tc | 718.00 | K | Relay (1.0) Calculated Property |
| Tfus | 273.82 | K | Relay (1.0) Calculated Property |
| Vc | 0.531 | m3/kmol | Relay (1.0) Calculated Property |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [220.05; 467.48] | 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 | 5.00430e+01 | |||
| Coefficient B | 6.94140e-01 | |||
| Coefficient C | -2.55800e-04 | |||
| Coefficient D | -2.09000e-08 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 220.05 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 262.67 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 301.67 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 336.96 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 368.50 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 396.21 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 420.04 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 439.90 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 455.74 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 467.48 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0151285; 0.0001154] | Pa×s | [310.40; 535.49] |
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 | -1.57910e+01 | |||
| Coefficient B | 3.60057e+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. | 310.40 | |||
| Temperature range, max. | 535.49 | |||
| η | 0.0151285 | Pa×s | 310.40 | Calculated Property |
| η | 0.0063702 | Pa×s | 335.41 | Calculated Property |
| η | 0.0030245 | Pa×s | 360.42 | Calculated Property |
| η | 0.0015817 | Pa×s | 385.43 | Calculated Property |
| η | 0.0008952 | Pa×s | 410.44 | Calculated Property |
| η | 0.0005409 | Pa×s | 435.45 | Calculated Property |
| η | 0.0003452 | Pa×s | 460.46 | Calculated Property |
| η | 0.0002307 | Pa×s | 485.47 | Calculated Property |
| η | 0.0001604 | Pa×s | 510.48 | Calculated Property |
| η | 0.0001154 | Pa×s | 535.49 | Calculated Property |
Similar Compounds
Find more compounds similar to Propanoic acid, 3-(acetyloxy)-2-(hydroxymethyl)-, ethyl ester, (+)-.
Sources
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