- 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 | 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 |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [366.55; 422.00] | J/mol×K | [590.82; 764.99] | 
|
| Cp,gas | 366.55 | J/mol×K | 590.82 | Joback Calculated Property |
| Cp,gas | 377.05 | J/mol×K | 619.85 | Joback Calculated Property |
| Cp,gas | 387.04 | J/mol×K | 648.88 | Joback Calculated Property |
| Cp,gas | 396.54 | J/mol×K | 677.90 | Joback Calculated Property |
| Cp,gas | 405.53 | J/mol×K | 706.93 | Joback Calculated Property |
| Cp,gas | 414.02 | J/mol×K | 735.96 | Joback Calculated Property |
| Cp,gas | 422.00 | J/mol×K | 764.99 | Joback Calculated Property |
| η | [0.0000615; 0.0151285] | Pa×s | [310.40; 590.82] |
|
| η | 0.0151285 | Pa×s | 310.40 | Joback Calculated Property |
| η | 0.0033154 | Pa×s | 357.14 | Joback Calculated Property |
| η | 0.0010324 | Pa×s | 403.87 | Joback Calculated Property |
| η | 0.0004095 | Pa×s | 450.61 | Joback Calculated Property |
| η | 0.0001933 | Pa×s | 497.35 | Joback Calculated Property |
| η | 0.0001038 | Pa×s | 544.08 | Joback Calculated Property |
| η | 0.0000615 | Pa×s | 590.82 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Propanoic acid, 3-(acetyloxy)-2-(hydroxymethyl)-, ethyl ester, (+)-.
Sources
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