- InChI
- InChI=1S/C8H14O4/c1-6(4-11-7(2)9)5-12-8(3)10/h6H,4-5H2,1-3H3
- InChI Key
- ODKLKBUOGOLEJW-UHFFFAOYSA-N
- Formula
- C8H14O4
- SMILES
- CC(=O)OCC(C)COC(C)=O
- Molecular Weight1
- 174.20
- 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).
- 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 | 0.5641 | Relay (1.0) Calculated Property | |
| ΔfG° | -606.70 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -867.73 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 21.69 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 64.48 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.60 | eV | Relay (1.0) Calculated Property |
| log10WS | -1.06 | Relay (1.0) Calculated Property | |
| logPoct/wat | 0.749 | Crippen Calculated Property | |
| McVol | 138.460 | ml/mol | McGowan Calculated Property |
| Pc | 2581.96 | kPa | Joback Calculated Property |
| Tboil | 488.78 | K | Relay (1.0) Calculated Property |
| Tc | 636.13 | K | Relay (1.0) Calculated Property |
| Tfus | 256.14 | K | Relay (1.0) Calculated Property |
| Vc | 0.525 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [314.08; 379.92] | J/mol×K | [498.64; 680.44] | 
|
| Cp,gas | 314.08 | J/mol×K | 498.64 | Joback Calculated Property |
| Cp,gas | 326.33 | J/mol×K | 528.94 | Joback Calculated Property |
| Cp,gas | 338.08 | J/mol×K | 559.24 | Joback Calculated Property |
| Cp,gas | 349.31 | J/mol×K | 589.54 | Joback Calculated Property |
| Cp,gas | 360.04 | J/mol×K | 619.84 | Joback Calculated Property |
| Cp,gas | 370.24 | J/mol×K | 650.14 | Joback Calculated Property |
| Cp,gas | 379.92 | J/mol×K | 680.44 | Joback Calculated Property |
| η | [0.0001898; 0.0081868] | Pa×s | [249.58; 498.64] |
|
| η | 0.0081868 | Pa×s | 249.58 | Joback Calculated Property |
| η | 0.0027949 | Pa×s | 291.09 | Joback Calculated Property |
| η | 0.0012477 | Pa×s | 332.60 | Joback Calculated Property |
| η | 0.0006662 | Pa×s | 374.11 | Joback Calculated Property |
| η | 0.0004032 | Pa×s | 415.62 | Joback Calculated Property |
| η | 0.0002673 | Pa×s | 457.13 | Joback Calculated Property |
| η | 0.0001898 | Pa×s | 498.64 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 1,3-Propanediol, 2-methyl-, diacetate.
Sources
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