- InChI
- InChI=1S/C9H18O2/c1-4-6-7-11-9(10)8(3)5-2/h8H,4-7H2,1-3H3
- InChI Key
- OTKQNSSMCDLVQV-UHFFFAOYSA-N
- Formula
- C9H18O2
- SMILES
- CCCCOC(=O)C(C)CC
- Molecular Weight1
- 158.24
- CAS
- 15706-73-7
- Other Names
-
- Butyl 2-methylbutyrate
- butanoic acid, 2-methyl-, butyl ester
- n-Butyl 2-methyl butyrate
- 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).
- Inp : Non-polar retention indices.
- I : 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 |
|---|---|---|---|
| ΔcH°liquid | -5504.50 ± 1.20 | kJ/mol | NIST |
| ΔfG° | -211.46 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -558.90 ± 1.30 | kJ/mol | NIST |
| ΔfH°liquid | -609.50 ± 1.20 | kJ/mol | NIST |
| ΔfusH° | 18.33 | kJ/mol | Joback Calculated Property |
| ΔvapH° | [50.57; 54.40] | kJ/mol |
|
| ΔvapH° | 54.40 ± 0.30 | kJ/mol | NIST |
| ΔvapH° | 50.57 ± 0.51 | kJ/mol | NIST |
| ΔvapH° | 50.60 | kJ/mol | NIST |
| ΔvapH° | 50.60 ± 0.50 | kJ/mol | NIST |
| log10WS | -2.21 | Crippen Calculated Property | |
| logPoct/wat | 2.376 | Crippen Calculated Property | |
| McVol | 145.110 | ml/mol | McGowan Calculated Property |
| Pc | 2431.44 | kPa | Joback Calculated Property |
| Inp | [1013.00; 1064.00] |
|
|
| Inp | 1048.00 | NIST | |
| Inp | 1030.00 | NIST | |
| Inp | 1033.00 | NIST | |
| Inp | 1026.00 | NIST | |
| Inp | 1030.00 | NIST | |
| Inp | Outlier 1064.00 | NIST | |
| Inp | Outlier 1013.00 | NIST | |
| Inp | 1045.00 | NIST | |
| Inp | 1043.00 | NIST | |
| Inp | 1047.00 | NIST | |
| Inp | 1031.00 | NIST | |
| Inp | 1041.00 | NIST | |
| Inp | 1038.00 | NIST | |
| Inp | 1044.00 | NIST | |
| Inp | 1020.00 | NIST | |
| Inp | 1029.00 | NIST | |
| Inp | 1038.00 | NIST | |
| Inp | 1042.00 | NIST | |
| Inp | 1038.00 | NIST | |
| Inp | Outlier 1064.00 | NIST | |
| Inp | 1029.00 | NIST | |
| Inp | 1048.00 | NIST | |
| Inp | 1028.00 | NIST | |
| Inp | 1038.00 | NIST | |
| Inp | 1036.00 | NIST | |
| Inp | 1029.00 | NIST | |
| Inp | 1043.00 | NIST | |
| Inp | 1041.00 | NIST | |
| Inp | 1038.00 | NIST | |
| I | [1219.00; 1253.00] |
|
|
| I | 1239.00 | NIST | |
| I | 1219.00 | NIST | |
| I | 1234.00 | NIST | |
| I | 1228.00 | NIST | |
| I | 1241.00 | NIST | |
| I | Outlier 1253.00 | NIST | |
| I | 1232.00 | NIST | |
| I | 1231.00 | NIST | |
| I | 1226.00 | NIST | |
| I | 1233.00 | NIST | |
| I | 1235.00 | NIST | |
| I | 1219.00 | NIST | |
| I | 1219.00 | NIST | |
| I | 1236.00 | NIST | |
| I | 1240.00 | NIST | |
| I | 1240.00 | NIST | |
| I | 1235.00 | NIST | |
| I | 1240.00 | NIST | |
| I | 1241.00 | NIST | |
| I | 1226.00 | NIST | |
| I | 1240.00 | NIST | |
| I | 1244.00 | NIST | |
| I | 1241.00 | NIST | |
| I | 1231.00 | NIST | |
| I | 1239.00 | NIST | |
| Tboil | 481.17 | K | Joback Calculated Property |
| Tc | 658.49 | K | Joback Calculated Property |
| Tfus | 248.35 | K | Joback Calculated Property |
| Vc | 0.557 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [323.06; 397.15] | J/mol×K | [481.17; 658.49] |
|
| Cp,gas | 323.06 | J/mol×K | 481.17 | Joback Calculated Property |
| Cp,gas | 336.66 | J/mol×K | 510.72 | Joback Calculated Property |
| Cp,gas | 349.76 | J/mol×K | 540.28 | Joback Calculated Property |
| Cp,gas | 362.35 | J/mol×K | 569.83 | Joback Calculated Property |
| Cp,gas | 374.44 | J/mol×K | 599.38 | Joback Calculated Property |
| Cp,gas | 386.04 | J/mol×K | 628.93 | Joback Calculated Property |
| Cp,gas | 397.15 | J/mol×K | 658.49 | Joback Calculated Property |
| η | [0.0002272; 0.0047844] | Pa×s | [248.35; 481.17] |
|
| η | 0.0047844 | Pa×s | 248.35 | Joback Calculated Property |
| η | 0.0020429 | Pa×s | 287.15 | Joback Calculated Property |
| η | 0.0010682 | Pa×s | 325.96 | Joback Calculated Property |
| η | 0.0006412 | Pa×s | 364.76 | Joback Calculated Property |
| η | 0.0004246 | Pa×s | 403.56 | Joback Calculated Property |
| η | 0.0003022 | Pa×s | 442.37 | Joback Calculated Property |
| η | 0.0002272 | Pa×s | 481.17 | Joback Calculated Property |
| Pvap | [0.02; 0.67] | kPa | [274.20; 319.20] |
|
| Pvap | 0.02 | kPa | 274.20 | Transpi... |
| Pvap | 0.03 | kPa | 276.20 | Transpi... |
| Pvap | 0.03 | kPa | 278.20 | Transpi... |
| Pvap | 0.04 | kPa | 280.20 | Transpi... |
| Pvap | 0.05 | kPa | 283.20 | Transpi... |
| Pvap | 0.07 | kPa | 288.10 | Transpi... |
| Pvap | 0.10 | kPa | 293.10 | Transpi... |
| Pvap | 0.15 | kPa | 298.10 | Transpi... |
| Pvap | 0.21 | kPa | 303.20 | Transpi... |
| Pvap | 0.31 | kPa | 308.20 | Transpi... |
| Pvap | 0.43 | kPa | 313.30 | Transpi... |
| Pvap | 0.55 | kPa | 316.20 | Transpi... |
| Pvap | 0.67 | kPa | 319.20 | Transpi... |
Similar Compounds
Find more compounds similar to Butyl 2-methylbutanoate.
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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that the value is more than 2 standard deviations away from the
property mean.