- InChI
- InChI=1S/C9H18O2/c1-5-8(4)6-11-9(10)7(2)3/h7-8H,5-6H2,1-4H3
- InChI Key
- DUAXUBMIVRZGCO-UHFFFAOYSA-N
- Formula
- C9H18O2
- SMILES
- CCC(C)COC(=O)C(C)C
- Molecular Weight1
- 158.24
- CAS
- 2445-69-4
- Other Names
-
- 2-Methylbutyl 2-methylpropanoate
- 2-Methylbutyl isobutanoate
- 2-Methylbutyl isobutyrate
- 2-Metylbutyl Isobutyrate
- Isobutyric acid, 2-methylbutyl ester
- 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).
- 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° | -213.90 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -484.45 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 14.81 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 44.01 | kJ/mol | Joback Calculated Property |
| log10WS | -1.97 | Crippen Calculated Property | |
| logPoct/wat | 2.232 | Crippen Calculated Property | |
| McVol | 145.110 | ml/mol | McGowan Calculated Property |
| Pc | 2450.74 | kPa | Joback Calculated Property |
| Inp | [989.00; 1023.00] |
|
|
| Inp | 1001.00 | NIST | |
| Inp | 1002.00 | NIST | |
| Inp | 989.00 | NIST | |
| Inp | 1016.70 | NIST | |
| Inp | 1014.00 | NIST | |
| Inp | 1001.00 | NIST | |
| Inp | 1004.00 | NIST | |
| Inp | 1017.00 | NIST | |
| Inp | 1014.00 | NIST | |
| Inp | 1002.00 | NIST | |
| Inp | 1002.00 | NIST | |
| Inp | 1021.50 | NIST | |
| Inp | 1002.00 | NIST | |
| Inp | 1002.00 | NIST | |
| Inp | 991.00 | NIST | |
| Inp | 1002.00 | NIST | |
| Inp | 999.00 | NIST | |
| Inp | 1015.00 | NIST | |
| Inp | 1023.00 | NIST | |
| Inp | 1002.00 | NIST | |
| Inp | 1002.00 | NIST | |
| Inp | 1004.00 | NIST | |
| Inp | 1021.50 | NIST | |
| Inp | 989.00 | NIST | |
| Inp | 1001.00 | NIST | |
| I | [1185.00; 1203.00] |
|
|
| I | 1199.00 | NIST | |
| I | 1185.00 | NIST | |
| I | 1203.00 | NIST | |
| I | 1194.00 | NIST | |
| I | 1203.00 | NIST | |
| I | 1203.00 | NIST | |
| I | 1196.00 | NIST | |
| I | 1185.00 | NIST | |
| Tboil | 480.73 | K | Joback Calculated Property |
| Tc | 661.81 | K | Joback Calculated Property |
| Tfus | 233.35 | K | Joback Calculated Property |
| Vc | 0.551 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [323.22; 399.06] | J/mol×K | [480.73; 661.81] |
|
| Cp,gas | 323.22 | J/mol×K | 480.73 | Joback Calculated Property |
| Cp,gas | 337.19 | J/mol×K | 510.91 | Joback Calculated Property |
| Cp,gas | 350.61 | J/mol×K | 541.09 | Joback Calculated Property |
| Cp,gas | 363.51 | J/mol×K | 571.27 | Joback Calculated Property |
| Cp,gas | 375.88 | J/mol×K | 601.45 | Joback Calculated Property |
| Cp,gas | 387.73 | J/mol×K | 631.63 | Joback Calculated Property |
| Cp,gas | 399.06 | J/mol×K | 661.81 | Joback Calculated Property |
| η | [0.0002156; 0.0073761] | Pa×s | [233.35; 480.73] |
|
| η | 0.0073761 | Pa×s | 233.35 | Joback Calculated Property |
| η | 0.0026314 | Pa×s | 274.58 | Joback Calculated Property |
| η | 0.0012286 | Pa×s | 315.81 | Joback Calculated Property |
| η | 0.0006840 | Pa×s | 357.04 | Joback Calculated Property |
| η | 0.0004299 | Pa×s | 398.27 | Joback Calculated Property |
| η | 0.0002948 | Pa×s | 439.50 | Joback Calculated Property |
| η | 0.0002156 | Pa×s | 480.73 | Joback Calculated Property |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Pvap | [1.33; 202.66] | kPa | [328.52; 489.38] |
The Yaw...
|
| Equation | ln(Pvp) = A + B/(T + C) | |||
| Coefficient A | 1.36055e+01 | |||
| Coefficient B | -3.53677e+03 | |||
| Coefficient C | -6.29560e+01 | |||
| Temperature range, min. | 328.52 | |||
| Temperature range, max. | 489.38 | |||
| Pvap | 1.33 | kPa | 328.52 | Calculated Property |
| Pvap | 3.09 | kPa | 346.39 | Calculated Property |
| Pvap | 6.47 | kPa | 364.27 | Calculated Property |
| Pvap | 12.49 | kPa | 382.14 | Calculated Property |
| Pvap | 22.48 | kPa | 400.01 | Calculated Property |
| Pvap | 38.12 | kPa | 417.89 | Calculated Property |
| Pvap | 61.47 | kPa | 435.76 | Calculated Property |
| Pvap | 94.88 | kPa | 453.63 | Calculated Property |
| Pvap | 140.99 | kPa | 471.51 | Calculated Property |
| Pvap | 202.66 | kPa | 489.38 | Calculated Property |
Similar Compounds
Find more compounds similar to Propanoic acid, 2-methyl-, 2-methylbutyl ester.
Sources
- Crippen Method
- Crippen Method
- Joback Method
- McGowan Method
- NIST Webbook
- The Yaws Handbook of Vapor Pressure
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