- InChI
- InChI=1S/C8H16O2/c1-3-5-6-8(9)10-7-4-2/h3-7H2,1-2H3
- InChI Key
- ROJKPKOYARNFNB-UHFFFAOYSA-N
- Formula
- C8H16O2
- SMILES
- CCCCC(=O)OCCC
- Molecular Weight1
- 144.21
- CAS
- 141-06-0
- Other Names
-
- Propyl pentanoate
- Propyl valerate
- Valeric acid, propyl ester
- n-Propyl n-valerate
- n-propyl pentanoate
- ω : Acentric Factor.
- 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).
- ΔvapH : Enthalpy of vaporization at a given temperature (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 | 0.5413 | Relay (1.0) Calculated Property | |
| ΔcH°liquid | -4851.80 ± 1.30 | kJ/mol | NIST |
| ΔfG° | -293.89 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -531.57 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 20.85 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 48.35 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.80 | eV | Relay (1.0) Calculated Property |
| log10WS | -2.12 | Relay (1.0) Calculated Property | |
| logPoct/wat | 2.130 | Crippen Calculated Property | |
| McVol | 131.020 | ml/mol | McGowan Calculated Property |
| Pc | 2548.19 | kPa | Joback Calculated Property |
| Inp | [971.00; 981.00] |
|
|
| Inp | 979.00 | NIST | |
| Inp | 971.00 | NIST | |
| Inp | 977.00 | NIST | |
| Inp | 980.00 | NIST | |
| Inp | 971.00 | NIST | |
| Inp | 971.00 | NIST | |
| Inp | 981.00 | NIST | |
| Inp | 971.00 | NIST | |
| I | [1200.00; 1233.00] |
|
|
| I | 1217.00 | NIST | |
| I | 1200.00 | NIST | |
| I | 1233.00 | NIST | |
| Tboil | [440.70; 440.70] | K |
|
| Tboil | 440.70 | K | NIST |
| Tboil | 440.70 ± 1.00 | K | NIST |
| Tboil | 440.70 ± 2.00 | K | NIST |
| Tc | 615.84 | K | Relay (1.0) Calculated Property |
| Tfus | 197.16 | K | Relay (1.0) Calculated Property |
| Vc | 0.511 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [274.34; 342.68] | J/mol×K | [440.86; 612.60] |
|
| Cp,gas | 274.34 | J/mol×K | 440.86 | Joback Calculated Property |
| Cp,gas | 286.86 | J/mol×K | 469.48 | Joback Calculated Property |
| Cp,gas | 298.93 | J/mol×K | 498.11 | Joback Calculated Property |
| Cp,gas | 310.54 | J/mol×K | 526.73 | Joback Calculated Property |
| Cp,gas | 321.69 | J/mol×K | 555.36 | Joback Calculated Property |
| Cp,gas | 332.41 | J/mol×K | 583.98 | Joback Calculated Property |
| Cp,gas | 342.68 | J/mol×K | 612.60 | Joback Calculated Property |
| η | [0.0002405; 0.0061578] | Pa×s | [222.25; 440.86] |
|
| η | 0.0061578 | Pa×s | 222.25 | Joback Calculated Property |
| η | 0.0024513 | Pa×s | 258.69 | Joback Calculated Property |
| η | 0.0012250 | Pa×s | 295.12 | Joback Calculated Property |
| η | 0.0007130 | Pa×s | 331.55 | Joback Calculated Property |
| η | 0.0004620 | Pa×s | 367.99 | Joback Calculated Property |
| η | 0.0003236 | Pa×s | 404.42 | Joback Calculated Property |
| η | 0.0002405 | Pa×s | 440.86 | Joback Calculated Property |
| ΔvapH | 40.00 | kJ/mol | 293.00 | NIST |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Pvap | [1.33; 202.67] | kPa | [329.52; 467.75] |
The Yaws Handbook of Vapor Pressure
|
| Equation | ln(Pvp) = A + B/(T + C) | |||
| Coefficient A | 1.49746e+01 | |||
| Coefficient B | -3.90482e+03 | |||
| Coefficient C | -6.36510e+01 | |||
| Temperature range, min. | 329.52 | |||
| Temperature range, max. | 467.75 | |||
| Pvap | 1.33 | kPa | 329.52 | Calculated Property |
| Pvap | 2.97 | kPa | 344.88 | Calculated Property |
| Pvap | 6.10 | kPa | 360.24 | Calculated Property |
| Pvap | 11.67 | kPa | 375.60 | Calculated Property |
| Pvap | 21.00 | kPa | 390.96 | Calculated Property |
| Pvap | 35.84 | kPa | 406.31 | Calculated Property |
| Pvap | 58.44 | kPa | 421.67 | Calculated Property |
| Pvap | 91.52 | kPa | 437.03 | Calculated Property |
| Pvap | 138.35 | kPa | 452.39 | Calculated Property |
| Pvap | 202.67 | kPa | 467.75 | Calculated Property |
Similar Compounds
Find more compounds similar to Pentanoic acid, propyl ester.
Sources
- Cheméo Relay (1.0)
- Crippen Method
- Crippen Method
- Joback Method
- KDB
- McGowan Method
- NIST Webbook
- The Yaws Handbook of Vapor Pressure
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