- InChI
- InChI=1S/C26H44O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-19-24-28-26(27)23-18-17-22-25-20-15-14-16-21-25/h14-16,20-21H,2-13,17-19,22-24H2,1H3
- InChI Key
- XDIUOTCIPHNLOB-UHFFFAOYSA-N
- Formula
- C26H44O2
- SMILES
-
CCCCCCCCCCCCCCCOC(=O)CCCCc1ccc
cc1 - Molecular Weight1
- 388.63
- 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 | 1.1162 | Relay (1.0) Calculated Property | |
| ΔfG° | -29.92 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -655.98 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 61.51 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 125.00 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.97 | eV | Relay (1.0) Calculated Property |
| log10WS | -7.67 | Relay (1.0) Calculated Property | |
| logPoct/wat | 8.034 | Crippen Calculated Property | |
| McVol | 360.880 | ml/mol | McGowan Calculated Property |
| Pc | 876.36 | kPa | Joback Calculated Property |
| Inp | [2919.00; 2919.00] |
|
|
| Inp | 2919.00 | NIST | |
| Inp | 2919.00 | NIST | |
| Tboil | 668.68 | K | Relay (1.0) Calculated Property |
| Tc | 862.89 | K | Relay (1.0) Calculated Property |
| Tfus | 291.82 | K | Relay (1.0) Calculated Property |
| Vc | 1.380 | m3/kmol | Relay (1.0) Calculated Property |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [516.12; 1250.28] | 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 | -2.92420e+01 | |||
| Coefficient B | 2.34012e+00 | |||
| Coefficient C | -1.32720e-03 | |||
| Coefficient D | 2.66600e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 516.12 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 644.33 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 758.92 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 860.72 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 950.58 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 1029.35 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 1097.85 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 1156.95 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 1207.48 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 1250.28 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0008607; 0.0000509] | Pa×s | [451.53; 754.19] |
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 | -1.41044e+01 | |||
| Coefficient B | 3.18174e+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. | 451.53 | |||
| Temperature range, max. | 754.19 | |||
| η | 0.0008607 | Pa×s | 451.53 | Calculated Property |
| η | 0.0005281 | Pa×s | 485.16 | Calculated Property |
| η | 0.0003452 | Pa×s | 518.79 | Calculated Property |
| η | 0.0002377 | Pa×s | 552.42 | Calculated Property |
| η | 0.0001708 | Pa×s | 586.05 | Calculated Property |
| η | 0.0001272 | Pa×s | 619.68 | Calculated Property |
| η | 0.0000976 | Pa×s | 653.31 | Calculated Property |
| η | 0.0000769 | Pa×s | 686.93 | Calculated Property |
| η | 0.0000620 | Pa×s | 720.56 | Calculated Property |
| η | 0.0000509 | Pa×s | 754.19 | Calculated Property |
Similar Compounds
Find more compounds similar to 5-Phenylvaleric acid, pentadecyl ester.
Sources
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