- InChI
- InChI=1S/C19H30O2/c1-3-5-11-17(4-2)16-21-19(20)15-10-9-14-18-12-7-6-8-13-18/h6-8,12-13,17H,3-5,9-11,14-16H2,1-2H3
- InChI Key
- SLWMHUHQQGJULD-UHFFFAOYSA-N
- Formula
- C19H30O2
- SMILES
- CCCCC(CC)COC(=O)CCCCc1ccccc1
- Molecular Weight1
- 290.44
- 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).
- 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 | 0.8052 | Relay (1.0) Calculated Property | |
| ΔfG° | -91.30 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -509.24 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 39.85 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 91.92 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.68 | eV | Relay (1.0) Calculated Property |
| log10WS | -5.47 | Relay (1.0) Calculated Property | |
| logPoct/wat | 5.159 | Crippen Calculated Property | |
| McVol | 262.250 | ml/mol | McGowan Calculated Property |
| Pc | 1373.78 | kPa | Joback Calculated Property |
| Inp | [2113.00; 2113.00] |
|
|
| Inp | 2113.00 | NIST | |
| Inp | 2113.00 | NIST | |
| Tboil | 621.33 | K | Relay (1.0) Calculated Property |
| Tc | 808.91 | K | Relay (1.0) Calculated Property |
| Tfus | 225.87 | K | Relay (1.0) Calculated Property |
| Vc | 0.961 | m3/kmol | Relay (1.0) Calculated Property |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [367.31; 889.68] | J/mol×K | [273.00; 1000.00] |
Joback Predicted correlation
|
| Equation | Y = A + B·T + C·T² + D·T³ + E·T⁴ Y is Cp,gas in J/mol×K, T in K | |||
| Coefficient A | -2.45610e+01 | |||
| Coefficient B | 1.68104e+00 | |||
| Coefficient C | -9.49600e-04 | |||
| Coefficient D | 1.82800e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 367.31 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 459.40 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 541.62 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 614.57 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 678.81 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 734.92 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 783.49 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 825.08 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 860.29 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 889.68 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0025356; 0.0001097] | Pa×s | [357.64; 637.07] |
Joback Predicted correlation
|
| Equation | Y = exp(A + B/T + C·ln(T) + D·T^E) Y is η in Pa×s, T in K | |||
| Coefficient A | -1.31366e+01 | |||
| Coefficient B | 2.56044e+03 | |||
| Coefficient C | 0.00000e+00 | |||
| Coefficient D | 0.00000e+00 | |||
| Coefficient E | 0.00000e+00 | |||
| Comment | Liquid phase. Joback/Reid (1987), valid from Tf to 0.7·Tc. | |||
| Temperature range, min. | 357.64 | |||
| Temperature range, max. | 637.07 | |||
| η | 0.0025356 | Pa×s | 357.64 | Calculated Property |
| η | 0.0014313 | Pa×s | 388.69 | Calculated Property |
| η | 0.0008792 | Pa×s | 419.74 | Calculated Property |
| η | 0.0005776 | Pa×s | 450.78 | Calculated Property |
| η | 0.0004006 | Pa×s | 481.83 | Calculated Property |
| η | 0.0002904 | Pa×s | 512.88 | Calculated Property |
| η | 0.0002184 | Pa×s | 543.93 | Calculated Property |
| η | 0.0001694 | Pa×s | 574.98 | Calculated Property |
| η | 0.0001348 | Pa×s | 606.02 | Calculated Property |
| η | 0.0001097 | Pa×s | 637.07 | Calculated Property |
Similar Compounds
Find more compounds similar to 5-Phenylvaleric acid, 2-ethylhexyl ester.
Sources
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