- InChI
- InChI=1S/C8H16O2/c1-4-5-6-8(9)10-7(2)3/h7H,4-6H2,1-3H3
- InChI Key
- OCAIYHCKLADPEG-UHFFFAOYSA-N
- Formula
- C8H16O2
- SMILES
- CCCCC(=O)OC(C)C
- Molecular Weight1
- 144.21
- CAS
- 18362-97-5
- Other Names
-
- Isopropyl pentanoate
- Isopropyl valerate
- Pentanoic acid isopropyl ester
- Valeric acid, isopropyl ester
- n-C4H9C(O)OCH(CH3)2
- 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).
- ΔfH°liquid : Liquid phase 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 | 0.4963 | Relay (1.0) Calculated Property | |
| ΔcH°liquid | -4842.60 ± 2.90 | kJ/mol | NIST |
| ΔfG° | -296.33 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -545.00 ± 3.00 | kJ/mol | NIST |
| ΔfH°liquid | -592.00 ± 3.00 | kJ/mol | NIST |
| ΔfusH° | 17.32 | kJ/mol | Joback Calculated Property |
| ΔvapH° | [47.00; 47.00] | kJ/mol |
|
| ΔvapH° | 47.00 ± 1.00 | kJ/mol | NIST |
| ΔvapH° | 47.00 | kJ/mol | NIST |
| IE | 9.93 | eV | Relay (1.0) Calculated Property |
| log10WS | -2.10 | Relay (1.0) Calculated Property | |
| logPoct/wat | 2.128 | Crippen Calculated Property | |
| McVol | 131.020 | ml/mol | McGowan Calculated Property |
| Pc | 2568.89 | kPa | Joback Calculated Property |
| Inp | [915.00; 924.00] |
|
|
| Inp | 924.00 | NIST | |
| Inp | 915.00 | NIST | |
| Inp | 919.00 | NIST | |
| Inp | 921.00 | NIST | |
| Inp | 915.00 | NIST | |
| Inp | 915.00 | NIST | |
| Inp | 924.00 | NIST | |
| Inp | 924.00 | NIST | |
| I | [1125.00; 1135.00] |
|
|
| I | 1135.00 | NIST | |
| I | 1125.00 | NIST | |
| I | 1135.00 | NIST | |
| Tboil | 394.46 | K | Relay (1.0) Calculated Property |
| Tc | 591.67 | K | Relay (1.0) Calculated Property |
| Tfus | 196.62 | 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 | [274.41; 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 |
| ΔvapH | 38.00 | kJ/mol | 293.00 | NIST |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Pvap | [1.33; 202.66] | kPa | [322.52; 463.97] |
The Yaws Handbook of Vapor Pressure
|
| Equation | ln(Pvp) = A + B/(T + C) | |||
| Coefficient A | 1.46046e+01 | |||
| Coefficient B | -3.74603e+03 | |||
| Coefficient C | -6.08710e+01 | |||
| Temperature range, min. | 322.52 | |||
| Temperature range, max. | 463.97 | |||
| Pvap | 1.33 | kPa | 322.52 | Calculated Property |
| Pvap | 3.00 | kPa | 338.24 | Calculated Property |
| Pvap | 6.19 | kPa | 353.95 | Calculated Property |
| Pvap | 11.87 | kPa | 369.67 | Calculated Property |
| Pvap | 21.35 | kPa | 385.39 | Calculated Property |
| Pvap | 36.39 | kPa | 401.10 | Calculated Property |
| Pvap | 59.18 | kPa | 416.82 | Calculated Property |
| Pvap | 92.35 | kPa | 432.54 | Calculated Property |
| Pvap | 139.00 | kPa | 448.25 | Calculated Property |
| Pvap | 202.66 | kPa | 463.97 | Calculated Property |
Similar Compounds
Find more compounds similar to Pentanoic acid, 1-methylethyl ester.
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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