- InChI
- InChI=1S/C8H16O2/c1-4-7(3)6-10-8(9)5-2/h7H,4-6H2,1-3H3
- InChI Key
- MVJLYXCJBPXRCY-UHFFFAOYSA-N
- Formula
- C8H16O2
- SMILES
- CCC(=O)OCC(C)CC
- Molecular Weight1
- 144.21
- CAS
- 2438-20-2
- Other Names
-
- 1-Butanol, 2-methyl-, propionate
- 2-Methylbutyl propanoate
- 2-Methylbutyl propionate
- ω : Acentric Factor.
- 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).
- IE : Ionization energy (eV).
- 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 |
|---|---|---|---|
| ω | 0.4888 | Relay (1.0) Calculated Property | |
| ΔfG° | -296.33 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -540.95 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 17.32 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 47.13 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.80 | eV | Relay (1.0) Calculated Property |
| log10WS | -1.88 | Relay (1.0) Calculated Property | |
| logPoct/wat | 1.986 | Crippen Calculated Property | |
| McVol | 131.020 | ml/mol | McGowan Calculated Property |
| Pc | 2568.89 | kPa | Joback Calculated Property |
| Inp | [950.00; 975.60] |
|
|
| Inp | 961.00 | NIST | |
| Inp | 961.00 | NIST | |
| Inp | 968.40 | NIST | |
| Inp | 962.00 | NIST | |
| Inp | 955.00 | NIST | |
| Inp | 954.00 | NIST | |
| Inp | Outlier 975.60 | NIST | |
| Inp | 955.00 | NIST | |
| Inp | 950.00 | NIST | |
| Inp | 961.00 | NIST | |
| Inp | 968.40 | NIST | |
| I | [1173.00; 1199.00] |
|
|
| I | 1194.00 | NIST | |
| I | 1192.00 | NIST | |
| I | 1189.00 | NIST | |
| I | Outlier 1173.00 | NIST | |
| I | 1197.00 | NIST | |
| I | 1197.00 | NIST | |
| I | 1180.00 | NIST | |
| I | 1199.00 | NIST | |
| I | 1199.00 | NIST | |
| I | 1199.00 | NIST | |
| I | 1199.00 | NIST | |
| I | 1192.00 | NIST | |
| Tboil | 431.93 | K | Relay (1.0) Calculated Property |
| Tc | 610.81 | K | Relay (1.0) Calculated Property |
| Tfus | 177.37 | K | Relay (1.0) Calculated Property |
| Vc | 0.489 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [274.41; 344.48] | J/mol×K | [440.42; 615.93] |
|
| Cp,gas | 274.41 | J/mol×K | 440.42 | Joback Calculated Property |
| Cp,gas | 287.29 | J/mol×K | 469.67 | Joback Calculated Property |
| Cp,gas | 299.68 | J/mol×K | 498.92 | Joback Calculated Property |
| Cp,gas | 311.59 | J/mol×K | 528.18 | Joback Calculated Property |
| Cp,gas | 323.02 | J/mol×K | 557.43 | Joback Calculated Property |
| Cp,gas | 333.99 | J/mol×K | 586.68 | Joback Calculated Property |
| Cp,gas | 344.48 | J/mol×K | 615.93 | Joback Calculated Property |
| η | [0.0002299; 0.0103762] | Pa×s | [207.25; 440.42] |
|
| η | 0.0103762 | Pa×s | 207.25 | Joback Calculated Property |
| η | 0.0033312 | Pa×s | 246.11 | Joback Calculated Property |
| η | 0.0014580 | Pa×s | 284.97 | Joback Calculated Property |
| η | 0.0007781 | Pa×s | 323.83 | Joback Calculated Property |
| η | 0.0004750 | Pa×s | 362.70 | Joback Calculated Property |
| η | 0.0003191 | Pa×s | 401.56 | Joback Calculated Property |
| η | 0.0002299 | Pa×s | 440.42 | Joback Calculated Property |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Pvap | [1.33; 202.64] | kPa | [315.52; 466.60] |
The Yaws Handbook of Vapor Pressure
|
| Equation | ln(Pvp) = A + B/(T + C) | |||
| Coefficient A | 1.38601e+01 | |||
| Coefficient B | -3.48925e+03 | |||
| Coefficient C | -5.84380e+01 | |||
| Temperature range, min. | 315.52 | |||
| Temperature range, max. | 466.60 | |||
| Pvap | 1.33 | kPa | 315.52 | Calculated Property |
| Pvap | 3.06 | kPa | 332.31 | Calculated Property |
| Pvap | 6.39 | kPa | 349.09 | Calculated Property |
| Pvap | 12.32 | kPa | 365.88 | Calculated Property |
| Pvap | 22.16 | kPa | 382.67 | Calculated Property |
| Pvap | 37.64 | kPa | 399.45 | Calculated Property |
| Pvap | 60.84 | kPa | 416.24 | Calculated Property |
| Pvap | 94.18 | kPa | 433.03 | Calculated Property |
| Pvap | 140.44 | kPa | 449.81 | Calculated Property |
| Pvap | 202.64 | kPa | 466.60 | Calculated Property |
Similar Compounds
Find more compounds similar to 1-Butanol, 2-methyl-, propanoate.
Sources
- Cheméo Relay (1.0)
- Crippen Method
- Crippen Method
- Joback Method
- McGowan Method
- NIST Webbook
- The Yaws Handbook of Vapor Pressure
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