- InChI
- InChI=1S/C6H12O2/c1-4-6(7)8-5(2)3/h5H,4H2,1-3H3
- InChI Key
- IJMWOMHMDSDKGK-UHFFFAOYSA-N
- Formula
- C6H12O2
- SMILES
- CCC(=O)OC(C)C
- Molecular Weight1
- 116.16
- CAS
- 637-78-5
- Other Names
-
- 1-methylethyl propanoate
- 2-propyl propanoate
- C2H5C(O)OCH(CH3)2
- Isopropyl ester of propanoic acid
- Propionic acid, isopropyl ester
- UN 2409
- iso-Propyl n-propionate
- iso-Propyl propanoate
- isopropyl propanoate
- isopropyl propionate
- 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).
- 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 | -3531.00 | kJ/mol | NIST |
| ΔfG° | -236.72 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -417.25 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 10.56 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 37.72 | kJ/mol | Joback Calculated Property |
| log10WS | -1.31 | Crippen Calculated Property | |
| logPoct/wat | 1.348 | Crippen Calculated Property | |
| McVol | 102.840 | ml/mol | McGowan Calculated Property |
| Pc | 3302.95 | kPa | Joback Calculated Property |
| Inp | [717.00; 751.00] |
|
|
| Inp | 739.00 | NIST | |
| Inp | 739.00 | NIST | |
| Inp | 747.00 | NIST | |
| Inp | 751.00 | NIST | |
| Inp | 739.00 | NIST | |
| Inp | 739.00 | NIST | |
| Inp | 738.00 | NIST | |
| Inp | 738.00 | NIST | |
| Inp | 733.00 | NIST | |
| Inp | 740.00 | NIST | |
| Inp | 742.00 | NIST | |
| Inp | Outlier 717.00 | NIST | |
| Inp | 735.00 | NIST | |
| Inp | 733.00 | NIST | |
| Inp | 750.00 | NIST | |
| Inp | 733.00 | NIST | |
| Inp | 738.00 | NIST | |
| Inp | 745.00 | NIST | |
| Inp | 739.00 | NIST | |
| Inp | 742.00 | NIST | |
| Inp | 735.00 | NIST | |
| I | [948.00; 996.00] |
|
|
| I | 986.00 | NIST | |
| I | 996.00 | NIST | |
| I | 956.00 | NIST | |
| I | 957.00 | NIST | |
| I | 970.00 | NIST | |
| I | 950.00 | NIST | |
| I | 948.00 | NIST | |
| Tboil | [382.65; 383.15] | K |
|
| Tboil | 382.65 | K | Multiph... |
| Tboil | 383.15 ± 1.00 | K | NIST |
| Tc | 594.22 | K | Joback Calculated Property |
| Tfus | 214.54 | K | Joback Calculated Property |
| Vc | 0.390 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [199.90; 255.87] | J/mol×K | [412.53; 594.22] |
|
| Cp,gas | 199.90 | J/mol×K | 412.53 | Joback Calculated Property |
| Cp,gas | 210.06 | J/mol×K | 442.81 | Joback Calculated Property |
| Cp,gas | 219.89 | J/mol×K | 473.09 | Joback Calculated Property |
| Cp,gas | 229.39 | J/mol×K | 503.38 | Joback Calculated Property |
| Cp,gas | 238.55 | J/mol×K | 533.66 | Joback Calculated Property |
| Cp,gas | 247.38 | J/mol×K | 563.94 | Joback Calculated Property |
| Cp,gas | 255.87 | J/mol×K | 594.22 | Joback Calculated Property |
| η | [0.0002624; 0.0046134] | Pa×s | [214.54; 412.53] |
|
| η | 0.0046134 | Pa×s | 214.54 | Joback Calculated Property |
| η | 0.0020807 | Pa×s | 247.54 | Joback Calculated Property |
| η | 0.0011317 | Pa×s | 280.54 | Joback Calculated Property |
| η | 0.0006998 | Pa×s | 313.53 | Joback Calculated Property |
| η | 0.0004742 | Pa×s | 346.53 | Joback Calculated Property |
| η | 0.0003438 | Pa×s | 379.53 | Joback Calculated Property |
| η | 0.0002624 | Pa×s | 412.53 | Joback Calculated Property |
| Pvap | [24.60; 101.30] | kPa | [337.66; 382.65] |
|
| Pvap | 24.60 | kPa | 337.66 | Multiph... |
| Pvap | 29.50 | kPa | 342.61 | Multiph... |
| Pvap | 35.68 | kPa | 347.62 | Multiph... |
| Pvap | 42.43 | kPa | 352.67 | Multiph... |
| Pvap | 50.12 | kPa | 357.58 | Multiph... |
| Pvap | 59.00 | kPa | 362.57 | Multiph... |
| Pvap | 101.30 | kPa | 382.65 | Multiph... |
Similar Compounds
Find more compounds similar to Propanoic acid, 1-methylethyl ester.
Mixtures
- Isopropyl Alcohol + Propanoic acid, 1-methylethyl ester
- Propanoic acid, 1-methylethyl ester + Propanoic acid
- Propanoic acid, 1-methylethyl ester + Water
- Isopropyl Alcohol + Propanoic acid, 1-methylethyl ester + Water
Sources
- Crippen Method
- Crippen Method
- Multiphase equilibria for mixtures containing water, isopropanol, propionic acid, and isopropyl propionate
- Joback Method
- McGowan Method
- NIST Webbook
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