- InChI
- InChI=1S/C6H12O4/c1-5(3-6(7)8)10-4-9-2/h5H,3-4H2,1-2H3,(H,7,8)
- InChI Key
- DGRBILULKINLRX-UHFFFAOYSA-N
- Formula
- C6H12O4
- SMILES
- COCOC(C)CC(=O)O
- Molecular Weight1
- 148.16
- CAS
- 1086255-73-3
- 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 | 0.6858 | Relay (1.0) Calculated Property | |
| ΔfG° | -478.54 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -775.50 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 15.84 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 72.49 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 10.08 | eV | Relay (1.0) Calculated Property |
| log10WS | 0.66 | Relay (1.0) Calculated Property | |
| logPoct/wat | 0.470 | Crippen Calculated Property | |
| McVol | 114.580 | ml/mol | McGowan Calculated Property |
| Pc | 3607.21 | kPa | Joback Calculated Property |
| Inp | [1118.10; 1118.10] |
|
|
| Inp | 1118.10 | NIST | |
| Inp | 1118.10 | NIST | |
| Tboil | 481.73 | K | Relay (1.0) Calculated Property |
| Tc | 659.80 | K | Relay (1.0) Calculated Property |
| Tfus | 272.30 | K | Relay (1.0) Calculated Property |
| Vc | 0.408 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [267.80; 317.52] | J/mol×K | [527.13; 700.89] |
|
| Cp,gas | 267.80 | J/mol×K | 527.13 | Joback Calculated Property |
| Cp,gas | 276.85 | J/mol×K | 556.09 | Joback Calculated Property |
| Cp,gas | 285.61 | J/mol×K | 585.05 | Joback Calculated Property |
| Cp,gas | 294.06 | J/mol×K | 614.01 | Joback Calculated Property |
| Cp,gas | 302.20 | J/mol×K | 642.97 | Joback Calculated Property |
| Cp,gas | 310.02 | J/mol×K | 671.93 | Joback Calculated Property |
| Cp,gas | 317.52 | J/mol×K | 700.89 | Joback Calculated Property |
| η | [0.0001109; 0.0107075] | Pa×s | [297.59; 527.13] |
|
| η | 0.0107075 | Pa×s | 297.59 | Joback Calculated Property |
| η | 0.0032396 | Pa×s | 335.85 | Joback Calculated Property |
| η | 0.0012517 | Pa×s | 374.10 | Joback Calculated Property |
| η | 0.0005769 | Pa×s | 412.36 | Joback Calculated Property |
| η | 0.0003033 | Pa×s | 450.62 | Joback Calculated Property |
| η | 0.0001763 | Pa×s | 488.87 | Joback Calculated Property |
| η | 0.0001109 | Pa×s | 527.13 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 3-(Methoxymethoxy)butanoic acid.
Sources
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