- InChI
- InChI=1S/C7H14O3/c1-3-10-6-4-5-7(8)9-2/h3-6H2,1-2H3
- InChI Key
- RVOAHFHZGYQSND-UHFFFAOYSA-N
- Formula
- C7H14O3
- SMILES
- CCOCCCC(=O)OC
- Molecular Weight1
- 146.18
- CAS
- 29006-04-0
- Other Names
-
- Butyric acid, 4-ethoxy-, methyl ester
- Methyl 4-ethoxybutanoate
- 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 | 0.5272 | Relay (1.0) Calculated Property | |
| ΔfG° | -330.86 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -623.21 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 17.86 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 53.36 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.59 | eV | Relay (1.0) Calculated Property |
| log10WS | -0.31 | Relay (1.0) Calculated Property | |
| logPoct/wat | 0.976 | Crippen Calculated Property | |
| McVol | 122.800 | ml/mol | McGowan Calculated Property |
| Pc | 2887.40 | kPa | Joback Calculated Property |
| Inp | [909.00; 909.00] |
|
|
| Inp | 909.00 | NIST | |
| Inp | 909.00 | NIST | |
| Tboil | 444.75 | K | Relay (1.0) Calculated Property |
| Tc | 618.54 | K | Relay (1.0) Calculated Property |
| Tfus | 210.99 | K | Relay (1.0) Calculated Property |
| Vc | 0.458 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [261.73; 322.52] | J/mol×K | [458.27; 634.29] |
|
| Cp,gas | 261.73 | J/mol×K | 458.27 | Joback Calculated Property |
| Cp,gas | 272.68 | J/mol×K | 487.61 | Joback Calculated Property |
| Cp,gas | 283.31 | J/mol×K | 516.94 | Joback Calculated Property |
| Cp,gas | 293.62 | J/mol×K | 546.28 | Joback Calculated Property |
| Cp,gas | 303.59 | J/mol×K | 575.61 | Joback Calculated Property |
| Cp,gas | 313.23 | J/mol×K | 604.95 | Joback Calculated Property |
| Cp,gas | 322.52 | J/mol×K | 634.29 | Joback Calculated Property |
| η | [0.0002277; 0.0024226] | Pa×s | [263.04; 458.27] |
|
| η | 0.0024226 | Pa×s | 263.04 | Joback Calculated Property |
| η | 0.0013150 | Pa×s | 295.58 | Joback Calculated Property |
| η | 0.0008058 | Pa×s | 328.12 | Joback Calculated Property |
| η | 0.0005394 | Pa×s | 360.65 | Joback Calculated Property |
| η | 0.0003858 | Pa×s | 393.19 | Joback Calculated Property |
| η | 0.0002905 | Pa×s | 425.73 | Joback Calculated Property |
| η | 0.0002277 | Pa×s | 458.27 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Butanoic acid, 4-ethoxy-, methyl ester.
Sources
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