- InChI
- InChI=1S/C6H10O3/c1-2-3-4-9-6(8)5-7/h5H,2-4H2,1H3
- InChI Key
- NRYDRJHYTRBBEA-UHFFFAOYSA-N
- Formula
- C6H10O3
- SMILES
- CCCCOC(=O)C=O
- Molecular Weight1
- 130.14
- CAS
- 6295-06-3
- Other Names
-
- Acetic acid, oxo-, butyl ester
- Butyl glyoxalate
- Butyl oxoacetate
- Glyoxylic acid, butyl ester
- 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 | 0.5653 | Relay (1.0) Calculated Property | |
| ΔfG° | -333.80 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -508.47 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 16.37 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 48.87 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 10.25 | eV | Relay (1.0) Calculated Property |
| log10WS | -1.06 | Relay (1.0) Calculated Property | |
| logPoct/wat | 0.529 | Crippen Calculated Property | |
| McVol | 104.410 | ml/mol | McGowan Calculated Property |
| Pc | 3568.53 | kPa | Joback Calculated Property |
| Tboil | 419.52 | K | Relay (1.0) Calculated Property |
| Tc | 627.91 | K | Relay (1.0) Calculated Property |
| Tfus | 218.52 | K | Relay (1.0) Calculated Property |
| Vc | 0.395 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [216.79; 266.12] | J/mol×K | [461.63; 645.60] | 
|
| Cp,gas | 216.79 | J/mol×K | 461.63 | Joback Calculated Property |
| Cp,gas | 225.84 | J/mol×K | 492.29 | Joback Calculated Property |
| Cp,gas | 234.55 | J/mol×K | 522.95 | Joback Calculated Property |
| Cp,gas | 242.94 | J/mol×K | 553.61 | Joback Calculated Property |
| Cp,gas | 251.00 | J/mol×K | 584.27 | Joback Calculated Property |
| Cp,gas | 258.72 | J/mol×K | 614.93 | Joback Calculated Property |
| Cp,gas | 266.12 | J/mol×K | 645.60 | Joback Calculated Property |
| η | [0.0003399; 0.0030008] | Pa×s | [271.54; 461.63] |
|
| η | 0.0030008 | Pa×s | 271.54 | Joback Calculated Property |
| η | 0.0017267 | Pa×s | 303.22 | Joback Calculated Property |
| η | 0.0011031 | Pa×s | 334.90 | Joback Calculated Property |
| η | 0.0007615 | Pa×s | 366.58 | Joback Calculated Property |
| η | 0.0005575 | Pa×s | 398.27 | Joback Calculated Property |
| η | 0.0004274 | Pa×s | 429.95 | Joback Calculated Property |
| η | 0.0003399 | Pa×s | 461.63 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Butyl glyoxylate.
Sources
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