- InChI
- InChI=1S/C8H16O2/c1-3-5-6-7-10-8(9)4-2/h3-7H2,1-2H3
- InChI Key
- TWSRVQVEYJNFKQ-UHFFFAOYSA-N
- Formula
- C8H16O2
- SMILES
- CCCCCOC(=O)CC
- Molecular Weight1
- 144.21
- CAS
- 624-54-4
- Other Names
-
- AMYL PROPIONATE
- Amyl propanoate
- N-PENTYL PROPANOATE
- NSC 7931
- Pentyl propanate
- Pentyl propanoate
- Pentyl propionate
- Propionic acid, pentyl ester
- ethyl butyrate
- n-Amyl n-propionate
- n-Amyl propionate
- n-Pentyl propionate
- propionic acid, amyl ester
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- Cp,liquid : Liquid phase 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).
- ΔvapH : Enthalpy of vaporization at a given temperature (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).
- ρl : Liquid Density (kg/m3).
- 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° | -217.44 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -453.25 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 19.26 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 42.56 | kJ/mol | Joback Calculated Property |
| log10WS | [-1.28; -1.28] |
|
|
| log10WS | -1.28 | Aq. Sol... | |
| log10WS | -1.28 | Estimat... | |
| logPoct/wat | 2.130 | Crippen Calculated Property | |
| McVol | 131.020 | ml/mol | McGowan Calculated Property |
| Pc | 2657.03 | kPa | Joback Calculated Property |
| Inp | [949.00; 1006.00] |
|
|
| Inp | 990.50 | NIST | |
| Inp | 980.41 | NIST | |
| Inp | 1001.50 | NIST | |
| Inp | 987.00 | NIST | |
| Inp | 983.00 | NIST | |
| Inp | 995.00 | NIST | |
| Inp | 990.00 | NIST | |
| Inp | 989.00 | NIST | |
| Inp | 952.00 | NIST | |
| Inp | 960.00 | NIST | |
| Inp | 980.00 | NIST | |
| Inp | 988.00 | NIST | |
| Inp | 990.00 | NIST | |
| Inp | 998.00 | NIST | |
| Inp | 949.00 | NIST | |
| Inp | 950.00 | NIST | |
| Inp | 980.00 | NIST | |
| Inp | 972.00 | NIST | |
| Inp | 952.00 | NIST | |
| Inp | 968.00 | NIST | |
| Inp | 1006.00 | NIST | |
| Inp | 973.00 | NIST | |
| Inp | 972.00 | NIST | |
| Inp | 969.00 | NIST | |
| Inp | 980.00 | NIST | |
| Inp | 990.00 | NIST | |
| I | [1208.00; 1288.00] |
|
|
| I | 1255.00 | NIST | |
| I | 1234.00 | NIST | |
| I | 1258.00 | NIST | |
| I | Outlier 1288.00 | NIST | |
| I | 1210.00 | NIST | |
| I | 1238.00 | NIST | |
| I | 1236.00 | NIST | |
| I | 1235.00 | NIST | |
| I | 1257.00 | NIST | |
| I | 1208.00 | NIST | |
| I | 1239.00 | NIST | |
| I | 1247.00 | NIST | |
| Tboil | [437.00; 441.90] | K |
|
| Tboil | 441.90 | K | KDB |
| Tboil | 441.80 | K | NIST |
| Tboil | 441.90 ± 1.00 | K | NIST |
| Tboil | 437.00 ± 2.00 | K | NIST |
| Tboil | 441.80 ± 1.00 | K | NIST |
| Tc | 633.80 | K | Joback Calculated Property |
| Tfus | 200.05 | K | Aq. Sol... |
| Vc | 0.507 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [279.70; 346.77] | J/mol×K | [458.73; 633.80] |
|
| Cp,gas | 279.70 | J/mol×K | 458.73 | Joback Calculated Property |
| Cp,gas | 291.94 | J/mol×K | 487.91 | Joback Calculated Property |
| Cp,gas | 303.75 | J/mol×K | 517.09 | Joback Calculated Property |
| Cp,gas | 315.14 | J/mol×K | 546.26 | Joback Calculated Property |
| Cp,gas | 326.10 | J/mol×K | 575.44 | Joback Calculated Property |
| Cp,gas | 336.64 | J/mol×K | 604.62 | Joback Calculated Property |
| Cp,gas | 346.77 | J/mol×K | 633.80 | Joback Calculated Property |
| Cp,liquid | 245.20 | J/mol×K | 298.15 | NIST |
| η | [0.0002540; 0.0032831] | Pa×s | [252.08; 458.73] |
|
| η | 0.0032831 | Pa×s | 252.08 | Joback Calculated Property |
| η | 0.0016585 | Pa×s | 286.52 | Joback Calculated Property |
| η | 0.0009701 | Pa×s | 320.96 | Joback Calculated Property |
| η | 0.0006296 | Pa×s | 355.40 | Joback Calculated Property |
| η | 0.0004410 | Pa×s | 389.85 | Joback Calculated Property |
| η | 0.0003273 | Pa×s | 424.29 | Joback Calculated Property |
| η | 0.0002540 | Pa×s | 458.73 | Joback Calculated Property |
| ΔvapH | 44.10 | kJ/mol | 357.50 | NIST |
| Pvap | [0.03; 1.29] | kPa | [274.10; 328.40] |
|
| Pvap | 0.03 | kPa | 274.10 | Vapour ... |
| Pvap | 0.03 | kPa | 275.50 | Vapour ... |
| Pvap | 0.04 | kPa | 278.30 | Vapour ... |
| Pvap | 0.05 | kPa | 280.90 | Vapour ... |
| Pvap | 0.06 | kPa | 283.40 | Vapour ... |
| Pvap | 0.09 | kPa | 288.30 | Vapour ... |
| Pvap | 0.14 | kPa | 293.30 | Vapour ... |
| Pvap | 0.20 | kPa | 298.40 | Vapour ... |
| Pvap | 0.28 | kPa | 303.30 | Vapour ... |
| Pvap | 0.39 | kPa | 308.20 | Vapour ... |
| Pvap | 0.53 | kPa | 313.40 | Vapour ... |
| Pvap | 0.72 | kPa | 318.50 | Vapour ... |
| Pvap | 0.84 | kPa | 320.70 | Vapour ... |
| Pvap | 0.96 | kPa | 323.40 | Vapour ... |
| Pvap | 1.10 | kPa | 325.60 | Vapour ... |
| Pvap | 1.29 | kPa | 328.40 | Vapour ... |
| ρl | 848.98 | kg/m3 | 318.15 | Thermod... |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Pvap | [1.33; 202.63] | kPa | [331.42; 468.52] |
The Yaw...
|
| Equation | ln(Pvp) = A + B/(T + C) | |||
| Coefficient A | 1.51106e+01 | |||
| Coefficient B | -3.96398e+03 | |||
| Coefficient C | -6.39980e+01 | |||
| Temperature range, min. | 331.42 | |||
| Temperature range, max. | 468.52 | |||
| Pvap | 1.33 | kPa | 331.42 | Calculated Property |
| Pvap | 2.96 | kPa | 346.65 | Calculated Property |
| Pvap | 6.07 | kPa | 361.89 | Calculated Property |
| Pvap | 11.60 | kPa | 377.12 | Calculated Property |
| Pvap | 20.87 | kPa | 392.35 | Calculated Property |
| Pvap | 35.64 | kPa | 407.59 | Calculated Property |
| Pvap | 58.17 | kPa | 422.82 | Calculated Property |
| Pvap | 91.22 | kPa | 438.05 | Calculated Property |
| Pvap | 138.09 | kPa | 453.29 | Calculated Property |
| Pvap | 202.63 | kPa | 468.52 | Calculated Property |
| Pvap | [0.36; 2125.44] | kPa | [294.15; 604.15] |
KDB Vap...
|
| Equation | ln(Pvp) = A + B/T + C*ln(T) + D*T^2 | |||
| Coefficient A | 2.11415e+01 | |||
| Coefficient B | -5.46526e+03 | |||
| Coefficient C | -6.04912e-01 | |||
| Coefficient D | -1.53384e-06 | |||
| Temperature range, min. | 294.15 | |||
| Temperature range, max. | 604.15 | |||
| Pvap | 0.36 | kPa | 294.15 | Calculated Property |
| Pvap | 2.31 | kPa | 328.59 | Calculated Property |
| Pvap | 10.17 | kPa | 363.04 | Calculated Property |
| Pvap | 34.09 | kPa | 397.48 | Calculated Property |
| Pvap | 92.89 | kPa | 431.93 | Calculated Property |
| Pvap | 215.31 | kPa | 466.37 | Calculated Property |
| Pvap | 438.71 | kPa | 500.82 | Calculated Property |
| Pvap | 805.21 | kPa | 535.26 | Calculated Property |
| Pvap | 1356.05 | kPa | 569.71 | Calculated Property |
| Pvap | 2125.44 | kPa | 604.15 | Calculated Property |
Similar Compounds
Find more compounds similar to Propanoic acid, pentyl ester.
Mixtures
- Propanoic acid, pentyl ester + Heptane
- Propanoic acid, pentyl ester + Nonane
- Undecane + Propanoic acid, pentyl ester
- Propanoic acid, pentyl ester + Tridecane
- Pentadecane + Propanoic acid, pentyl ester
- Heptadecane + Propanoic acid, pentyl ester
Sources
- KDB Vapor Pressure Data
- Crippen Method
- Vapour pressures and enthalpies of vaporization of aliphatic esters
- Thermodynamic properties of (an ester + and alkane). XVII. Experimental He and Ve values for (an alkyl propanoate + an alkane) at 318.15K
- Joback Method
- KDB
- Aqueous Solubility Prediction Method
- Estimated Solubility Method
- McGowan Method
- NIST Webbook
- The Yaws Handbook of Vapor Pressure
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