- InChI
- InChI=1S/C7H14O2/c1-7(2,3)5-6(8)9-4/h5H2,1-4H3
- InChI Key
- DXBOTVWRXLQVMG-UHFFFAOYSA-N
- Formula
- C7H14O2
- SMILES
- COC(=O)CC(C)(C)C
- Molecular Weight1
- 130.18
- CAS
- 10250-48-3
- Other Names
-
- Methyl 3,3-dimethylbutyrate
- butyric acid, 3,3-dimethyl-, methyl ester
- methyl 3,3-dimethylbutanoate
- methyl tert-butylacetate
- ΔcH°liquid : Standard liquid enthalpy of combustion (kJ/mol).
- 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).
- ΔfH°liquid : Liquid phase 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).
- Pvap : Vapor 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 |
|---|---|---|---|
| ΔcH°liquid | -4199.20 ± 1.60 | kJ/mol | NIST |
| ΔfG° | -223.02 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -511.70 ± 1.60 | kJ/mol | NIST |
| ΔfH°liquid | -556.10 ± 1.60 | kJ/mol | NIST |
| ΔfusH° | 9.26 | kJ/mol | Joback Calculated Property |
| ΔvapH° | [43.90; 44.40] | kJ/mol |
|
| ΔvapH° | 43.90 ± 0.20 | kJ/mol | NIST |
| ΔvapH° | 44.39 ± 0.16 | kJ/mol | NIST |
| ΔvapH° | 44.40 | kJ/mol | NIST |
| ΔvapH° | 44.40 ± 0.20 | kJ/mol | NIST |
| log10WS | -1.37 | Crippen Calculated Property | |
| logPoct/wat | 1.596 | Crippen Calculated Property | |
| McVol | 116.930 | ml/mol | McGowan Calculated Property |
| Pc | 3002.44 | kPa | Joback Calculated Property |
| Tboil | 400.00 ± 1.00 | K | NIST |
| Tc | 620.42 | K | Joback Calculated Property |
| Tfus | 243.23 | K | Joback Calculated Property |
| Vc | 0.441 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [241.05; 306.89] | J/mol×K | [432.62; 620.42] |
|
| Cp,gas | 241.05 | J/mol×K | 432.62 | Joback Calculated Property |
| Cp,gas | 253.38 | J/mol×K | 463.92 | Joback Calculated Property |
| Cp,gas | 265.15 | J/mol×K | 495.22 | Joback Calculated Property |
| Cp,gas | 276.37 | J/mol×K | 526.52 | Joback Calculated Property |
| Cp,gas | 287.06 | J/mol×K | 557.82 | Joback Calculated Property |
| Cp,gas | 297.22 | J/mol×K | 589.12 | Joback Calculated Property |
| Cp,gas | 306.89 | J/mol×K | 620.42 | Joback Calculated Property |
| η | [0.0002778; 0.0047587] | Pa×s | [243.23; 432.62] |
|
| η | 0.0047587 | Pa×s | 243.23 | Joback Calculated Property |
| η | 0.0022582 | Pa×s | 274.80 | Joback Calculated Property |
| η | 0.0012495 | Pa×s | 306.36 | Joback Calculated Property |
| η | 0.0007722 | Pa×s | 337.93 | Joback Calculated Property |
| η | 0.0005181 | Pa×s | 369.49 | Joback Calculated Property |
| η | 0.0003702 | Pa×s | 401.06 | Joback Calculated Property |
| η | 0.0002778 | Pa×s | 432.62 | Joback Calculated Property |
| Pvap | [0.30; 3.59] | kPa | [273.90; 313.20] |
|
| Pvap | 0.30 | kPa | 273.90 | Transpi... |
| Pvap | 0.32 | kPa | 274.40 | Transpi... |
| Pvap | 0.35 | kPa | 275.90 | Transpi... |
| Pvap | 0.40 | kPa | 277.40 | Transpi... |
| Pvap | 0.44 | kPa | 278.70 | Transpi... |
| Pvap | 0.46 | kPa | 279.50 | Transpi... |
| Pvap | 0.52 | kPa | 281.50 | Transpi... |
| Pvap | 0.57 | kPa | 282.50 | Transpi... |
| Pvap | 0.59 | kPa | 283.30 | Transpi... |
| Pvap | 0.69 | kPa | 285.50 | Transpi... |
| Pvap | 0.82 | kPa | 288.20 | Transpi... |
| Pvap | 0.82 | kPa | 288.60 | Transpi... |
| Pvap | 1.00 | kPa | 291.60 | Transpi... |
| Pvap | 1.13 | kPa | 293.20 | Transpi... |
| Pvap | 1.19 | kPa | 294.60 | Transpi... |
| Pvap | 1.44 | kPa | 297.70 | Transpi... |
| Pvap | 1.53 | kPa | 298.20 | Transpi... |
| Pvap | 1.85 | kPa | 301.80 | Transpi... |
| Pvap | 2.04 | kPa | 303.20 | Transpi... |
| Pvap | 2.09 | kPa | 303.80 | Transpi... |
| Pvap | 2.50 | kPa | 306.90 | Transpi... |
| Pvap | 2.74 | kPa | 308.20 | Transpi... |
| Pvap | 2.78 | kPa | 309.00 | Transpi... |
| Pvap | 3.59 | kPa | 313.20 | Transpi... |
Similar Compounds
Find more compounds similar to Butanoic acid, 3,3-dimethyl-, methyl ester.
Sources
- Crippen Method
- Crippen Method
- Transpiration method: Vapor pressures and enthalpies of vaporization of some low-boiling esters
- Joback Method
- McGowan Method
- NIST Webbook
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