- InChI
- InChI=1S/C9H18O2/c1-4-6-8(3)11-9(10)7-5-2/h8H,4-7H2,1-3H3
- InChI Key
- DJOCFLQKCMWABC-UHFFFAOYSA-N
- Formula
- C9H18O2
- SMILES
- CCCC(=O)OC(C)CCC
- Molecular Weight1
- 158.24
- CAS
- 60415-61-4
- Other Names
-
- 1-Methylbutyl butanoate
- 2-Pentyl butanoate
- 2-pentyl butyrate
- Butanoic acid, 2-pentyl ester
- Butyric acid, sec-pentyl ester
- UN 2620
- isopentyl butyrate
- sec-Amyl butyrate
- 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).
- Pvap : Vapor pressure (kPa).
- n0 : Refractive Index.
- 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 |
|---|---|---|---|
| ΔfG° | -211.46 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -479.17 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 18.33 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 44.40 | kJ/mol | Joback Calculated Property |
| log10WS | -2.56 | Crippen Calculated Property | |
| logPoct/wat | 2.518 | Crippen Calculated Property | |
| McVol | 145.110 | ml/mol | McGowan Calculated Property |
| Pc | 2431.44 | kPa | Joback Calculated Property |
| Inp | [966.00; 1016.00] |
|
|
| Inp | 999.00 | NIST | |
| Inp | 992.00 | NIST | |
| Inp | 1012.00 | NIST | |
| Inp | 1016.00 | NIST | |
| Inp | 1010.00 | NIST | |
| Inp | Outlier 966.00 | NIST | |
| Inp | 973.00 | NIST | |
| Inp | 1010.00 | NIST | |
| Inp | 1008.00 | NIST | |
| Inp | 1012.00 | NIST | |
| Inp | 1009.00 | NIST | |
| Inp | 1012.00 | NIST | |
| I | [1214.00; 1260.00] |
|
|
| I | 1230.00 | NIST | |
| I | Outlier 1260.00 | NIST | |
| I | 1223.00 | NIST | |
| I | 1215.00 | NIST | |
| I | 1225.00 | NIST | |
| I | 1214.00 | NIST | |
| I | 1216.00 | NIST | |
| I | 1217.00 | NIST | |
| I | 1214.00 | 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 |
| n0 | 1.40283 | 303.15 | Liquid-... | |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Pvap | [1.33; 202.65] | kPa | [335.52; 486.70] |
The Yaw...
|
| Equation | ln(Pvp) = A + B/(T + C) | |||
| Coefficient A | 1.42767e+01 | |||
| Coefficient B | -3.77403e+03 | |||
| Coefficient C | -6.57360e+01 | |||
| Temperature range, min. | 335.52 | |||
| Temperature range, max. | 486.70 | |||
| Pvap | 1.33 | kPa | 335.52 | Calculated Property |
| Pvap | 3.03 | kPa | 352.32 | Calculated Property |
| Pvap | 6.28 | kPa | 369.12 | Calculated Property |
| Pvap | 12.05 | kPa | 385.91 | Calculated Property |
| Pvap | 21.69 | kPa | 402.71 | Calculated Property |
| Pvap | 36.92 | kPa | 419.51 | Calculated Property |
| Pvap | 59.88 | kPa | 436.31 | Calculated Property |
| Pvap | 93.12 | kPa | 453.10 | Calculated Property |
| Pvap | 139.61 | kPa | 469.90 | Calculated Property |
| Pvap | 202.65 | kPa | 486.70 | Calculated Property |
Similar Compounds
Find more compounds similar to Butanoic acid, 1-methylbutyl ester.
Sources
- Crippen Method
- Crippen Method
- Liquid-liquid equilibria for ternary mixtures of 1-alkyl-3-methyl imidazolium bis{(trifluoromethyl)sulfonyl}imides, n-hexane and organic compounds at 303.15 K and 0.1 MPa
- Joback Method
- McGowan Method
- NIST Webbook
- The Yaws Handbook of Vapor Pressure
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Outlier This icon means
that the value is more than 2 standard deviations away from the
property mean.