- InChI
- InChI=1S/C13H26O2/c1-4-7-9-12(6-3)11-15-13(14)10-8-5-2/h12H,4-11H2,1-3H3
- InChI Key
- FSJUXYZQJUNUBZ-UHFFFAOYSA-N
- Formula
- C13H26O2
- SMILES
- CCCCC(=O)OCC(CC)CCCC
- Molecular Weight1
- 214.34
- CAS
- 5451-87-6
- Other Names
-
- 2-Ethylhexyl pentanoate
- 2-ethylhexyl valerate
- Valeric acid, 2-ethylhexyl ester
- 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.
- 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 | 0.6728 | Relay (1.0) Calculated Property | |
| ΔfG° | -177.78 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -634.81 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 28.69 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 65.09 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.45 | eV | Relay (1.0) Calculated Property |
| log10WS | -4.14 | Relay (1.0) Calculated Property | |
| logPoct/wat | 3.936 | Crippen Calculated Property | |
| McVol | 201.470 | ml/mol | McGowan Calculated Property |
| Pc | 1718.88 | kPa | Joback Calculated Property |
| Inp | [1404.00; 1404.00] |
|
|
| Inp | 1404.00 | NIST | |
| Inp | 1404.00 | NIST | |
| Tboil | 518.35 | K | Relay (1.0) Calculated Property |
| Tc | 689.05 | K | Relay (1.0) Calculated Property |
| Tfus | 180.44 | K | Relay (1.0) Calculated Property |
| Vc | 0.744 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [515.10; 605.00] | J/mol×K | [572.69; 744.36] |
|
| Cp,gas | 515.10 | J/mol×K | 572.69 | Joback Calculated Property |
| Cp,gas | 531.74 | J/mol×K | 601.30 | Joback Calculated Property |
| Cp,gas | 547.70 | J/mol×K | 629.91 | Joback Calculated Property |
| Cp,gas | 563.00 | J/mol×K | 658.53 | Joback Calculated Property |
| Cp,gas | 577.64 | J/mol×K | 687.14 | Joback Calculated Property |
| Cp,gas | 591.64 | J/mol×K | 715.75 | Joback Calculated Property |
| Cp,gas | 605.00 | J/mol×K | 744.36 | Joback Calculated Property |
| η | [0.0001594; 0.0040106] | Pa×s | [293.43; 572.69] |
|
| η | 0.0040106 | Pa×s | 293.43 | Joback Calculated Property |
| η | 0.0016218 | Pa×s | 339.97 | Joback Calculated Property |
| η | 0.0008156 | Pa×s | 386.52 | Joback Calculated Property |
| η | 0.0004755 | Pa×s | 433.06 | Joback Calculated Property |
| η | 0.0003078 | Pa×s | 479.60 | Joback Calculated Property |
| η | 0.0002152 | Pa×s | 526.15 | Joback Calculated Property |
| η | 0.0001594 | Pa×s | 572.69 | Joback Calculated Property |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Pvap | [1.33; 202.66] | kPa | [393.00; 560.96] |
The Yaws Handbook of Vapor Pressure
|
| Equation | ln(Pvp) = A + B/(T + C) | |||
| Coefficient A | 1.45133e+01 | |||
| Coefficient B | -4.37636e+03 | |||
| Coefficient C | -8.53620e+01 | |||
| Temperature range, min. | 393.00 | |||
| Temperature range, max. | 560.96 | |||
| Pvap | 1.33 | kPa | 393.00 | Calculated Property |
| Pvap | 3.01 | kPa | 411.66 | Calculated Property |
| Pvap | 6.21 | kPa | 430.32 | Calculated Property |
| Pvap | 11.92 | kPa | 448.99 | Calculated Property |
| Pvap | 21.44 | kPa | 467.65 | Calculated Property |
| Pvap | 36.54 | kPa | 486.31 | Calculated Property |
| Pvap | 59.37 | kPa | 504.97 | Calculated Property |
| Pvap | 92.56 | kPa | 523.64 | Calculated Property |
| Pvap | 139.17 | kPa | 542.30 | Calculated Property |
| Pvap | 202.66 | kPa | 560.96 | Calculated Property |
Similar Compounds
Find more compounds similar to Pentanoic acid, 2-ethylhexyl 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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