- InChI
- InChI=1S/C7H16O3/c1-5-6-7(8-2,9-3)10-4/h5-6H2,1-4H3
- InChI Key
- JAFMOTJMRSZOJE-UHFFFAOYSA-N
- Formula
- C7H16O3
- SMILES
- CCCC(OC)(OC)OC
- Molecular Weight1
- 148.20
- CAS
- 43083-12-1
- Other Names
-
- ortho-n-Butyric acid trimethyl ester
- Butane, 1,1,1-trimethoxy-
- 1,1,1-trimethoxybutane
- 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).
- 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 |
|---|---|---|---|
| ΔfG° | -304.10 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -593.22 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 10.04 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 37.11 | kJ/mol | Joback Calculated Property |
| log10WS | -1.12 | Crippen Calculated Property | |
| logPoct/wat | 1.380 | Crippen Calculated Property | |
| McVol | 127.100 | ml/mol | McGowan Calculated Property |
| Pc | 2707.03 | kPa | Joback Calculated Property |
| Tboil | 419.20 | K | NIST |
| Tc | 599.04 | K | Joback Calculated Property |
| Tfus | 237.76 | K | Joback Calculated Property |
| Vc | 0.470 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [268.18; 336.37] | J/mol×K | [423.59; 599.04] | 
|
| Cp,gas | 268.18 | J/mol×K | 423.59 | Joback Calculated Property |
| Cp,gas | 280.51 | J/mol×K | 452.83 | Joback Calculated Property |
| Cp,gas | 292.46 | J/mol×K | 482.07 | Joback Calculated Property |
| Cp,gas | 304.02 | J/mol×K | 511.32 | Joback Calculated Property |
| Cp,gas | 315.20 | J/mol×K | 540.56 | Joback Calculated Property |
| Cp,gas | 325.98 | J/mol×K | 569.80 | Joback Calculated Property |
| Cp,gas | 336.37 | J/mol×K | 599.04 | Joback Calculated Property |
| η | [0.0001828; 0.0033515] | Pa×s | [237.76; 423.59] |
|
| η | 0.0033515 | Pa×s | 237.76 | Joback Calculated Property |
| η | 0.0015609 | Pa×s | 268.73 | Joback Calculated Property |
| η | 0.0008514 | Pa×s | 299.70 | Joback Calculated Property |
| η | 0.0005202 | Pa×s | 330.67 | Joback Calculated Property |
| η | 0.0003458 | Pa×s | 361.65 | Joback Calculated Property |
| η | 0.0002452 | Pa×s | 392.62 | Joback Calculated Property |
| η | 0.0001828 | Pa×s | 423.59 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Trimethyl orthobutyrate.
Sources
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