- InChI
- InChI=1S/C7H14O3/c1-6(9-3)4-5-10-7(2)8/h6H,4-5H2,1-3H3
- InChI Key
- QMYGFTJCQFEDST-UHFFFAOYSA-N
- Formula
- C7H14O3
- SMILES
- COC(C)CCOC(C)=O
- Molecular Weight1
- 146.19
- Other Names
-
- 3-Methoxy-1-butanol, acetate
- 3-Methoxybutylester kyseliny octove
- 3-methoxy-n-butyl acetate
- 3-methoxybutyl acetate
- Acetic acid, 3-methoxybutyl ester
- Butoxyl
- UN 2708
- acetic acid 3-methoxybutyl ester
- ω : Acentric Factor.
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- η : Dynamic viscosity (Pa×s).
- 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).
- Pvap : Vapor pressure (kPa).
- ρl : Liquid Density (kg/m3).
- 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 | 0.4820 | Relay (1.0) Calculated Property | |
| ΔfH°gas | -633.44 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 15.92 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 51.43 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.42 | eV | Relay (1.0) Calculated Property |
| log10WS | 0.15 | Relay (1.0) Calculated Property | |
| logPoct/wat | 0.974 | Crippen Calculated Property | |
| McVol | 122.800 | ml/mol | McGowan Calculated Property |
| Pc | 2787.66 | kPa | Joback Calculated Property |
| Tboil | 442.04 | K | Solubilities of carbon dioxide in 2-methoxyethyl acetate, 1-methoxy-2-propyl acetate and 3-methoxybutyl acetate |
| Tc | 612.82 | K | Relay (1.0) Calculated Property |
| Tfus | 213.39 | K | Relay (1.0) Calculated Property |
| Vc | 0.462 | m3/kmol | Relay (1.0) Calculated Property |
Cheméo can also estimate Standard Gibbs free energy of formation for this compound, but it falls outside the models' validated range, so it is not shown here. Open the prediction tool to compute it on demand.
Temperature Dependent Properties
Similar Compounds
Find more compounds similar to 3-Methoxy-1-butyl acetate.
Mixtures
Sources
- Cheméo Relay (1.0)
- Crippen Method
- Crippen Method
- Solubilities of carbon dioxide in 2-methoxyethyl acetate, 1-methoxy-2-propyl acetate and 3-methoxybutyl acetate
- Below the room temperature measurements of CO2 solubilities in six physical absorbents
- Solubilities of Sulfuryl Fluoride in 2-Butoxyethyl Acetate, 3-Methoxybutyl Acetate, 2-Methoxyethyl Acetate, 1-Methoxy-2-propyl Acetate, and 2-(2-Ethoxyethoxy)ethyl Acetate
- Joback Method
- McGowan Method
- NIST Webbook
Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more.
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