- InChI
- InChI=1S/C6H12O3/c1-8-5-3-4-6(7)9-2/h3-5H2,1-2H3
- InChI Key
- VHDGWXQBVWAMJA-UHFFFAOYSA-N
- Formula
- C6H12O3
- SMILES
- COCCCC(=O)OC
- Molecular Weight1
- 132.16
- CAS
- 29006-01-7
- Other Names
-
- Butyric acid, 4-methoxy-, methyl ester
- Methyl 4-methoxybutyrate
- Methyl 4-methoxybutanoate
- 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 | 0.5001 | Relay (... Calculated Property | |
| ΔfG° | -339.28 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -588.51 | kJ/mol | Relay (... Calculated Property |
| ΔfusH° | 15.27 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 50.54 | kJ/mol | Relay (... Calculated Property |
| IE | 9.70 | eV | Relay (... Calculated Property |
| log10WS | 0.09 | Relay (... Calculated Property | |
| logPoct/wat | 0.586 | Crippen Calculated Property | |
| McVol | 108.710 | ml/mol | McGowan Calculated Property |
| Pc | 3210.04 | kPa | Joback Calculated Property |
| Tboil | 433.80 | K | Relay (... Calculated Property |
| Tc | 609.28 | K | Relay (... Calculated Property |
| Tfus | 221.16 | K | Relay (... Calculated Property |
| Vc | 0.402 | m3/kmol | Relay (... Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [221.86; 276.12] | J/mol×K | [435.39; 612.77] | 
|
| Cp,gas | 221.86 | J/mol×K | 435.39 | Joback Calculated Property |
| Cp,gas | 231.56 | J/mol×K | 464.95 | Joback Calculated Property |
| Cp,gas | 241.01 | J/mol×K | 494.52 | Joback Calculated Property |
| Cp,gas | 250.20 | J/mol×K | 524.08 | Joback Calculated Property |
| Cp,gas | 259.12 | J/mol×K | 553.64 | Joback Calculated Property |
| Cp,gas | 267.77 | J/mol×K | 583.20 | Joback Calculated Property |
| Cp,gas | 276.12 | J/mol×K | 612.77 | Joback Calculated Property |
| η | [0.0002392; 0.0023571] | Pa×s | [251.77; 435.39] |
|
| η | 0.0023571 | Pa×s | 251.77 | Joback Calculated Property |
| η | 0.0013093 | Pa×s | 282.37 | Joback Calculated Property |
| η | 0.0008159 | Pa×s | 312.98 | Joback Calculated Property |
| η | 0.0005532 | Pa×s | 343.58 | Joback Calculated Property |
| η | 0.0003996 | Pa×s | 374.18 | Joback Calculated Property |
| η | 0.0003033 | Pa×s | 404.79 | Joback Calculated Property |
| η | 0.0002392 | Pa×s | 435.39 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Butanoic acid, 4-methoxy-, methyl ester.
Sources
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