- InChI
- InChI=1S/C28H48O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-21-26-30-28(29)25-20-19-24-27-22-17-16-18-23-27/h16-18,22-23H,2-15,19-21,24-26H2,1H3
- InChI Key
- OKDGRPXPSAHHRS-UHFFFAOYSA-N
- Formula
- C28H48O2
- SMILES
-
CCCCCCCCCCCCCCCCCOC(=O)CCCCc1c
cccc1 - Molecular Weight1
- 416.68
- 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 | 1.1864 | Relay (1.0) Calculated Property | |
| ΔfG° | -13.08 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -698.44 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 66.69 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 133.60 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.06 | eV | Relay (1.0) Calculated Property |
| log10WS | -8.28 | Relay (1.0) Calculated Property | |
| logPoct/wat | 8.814 | Crippen Calculated Property | |
| McVol | 389.060 | ml/mol | McGowan Calculated Property |
| Pc | 784.63 | kPa | Joback Calculated Property |
| Inp | [3130.00; 3130.00] |
|
|
| Inp | 3130.00 | NIST | |
| Inp | 3130.00 | NIST | |
| Tboil | 681.50 | K | Relay (1.0) Calculated Property |
| Tc | 875.66 | K | Relay (1.0) Calculated Property |
| Tfus | 297.24 | K | Relay (1.0) Calculated Property |
| Vc | 1.490 | m3/kmol | Relay (1.0) Calculated Property |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [558.55; 1353.46] | 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 | -3.10600e+01 | |||
| Coefficient B | 2.53012e+00 | |||
| Coefficient C | -1.43600e-03 | |||
| Coefficient D | 2.90400e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 558.55 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 697.17 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 821.08 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 931.18 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 1028.41 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 1113.67 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 1187.89 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 1251.98 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 1306.86 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 1353.46 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0006596; 0.0000378] | Pa×s | [474.07; 793.01] |
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 | -1.44327e+01 | |||
| Coefficient B | 3.37006e+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. | 474.07 | |||
| Temperature range, max. | 793.01 | |||
| η | 0.0006596 | Pa×s | 474.07 | Calculated Property |
| η | 0.0004023 | Pa×s | 509.51 | Calculated Property |
| η | 0.0002617 | Pa×s | 544.94 | Calculated Property |
| η | 0.0001794 | Pa×s | 580.38 | Calculated Property |
| η | 0.0001284 | Pa×s | 615.82 | Calculated Property |
| η | 0.0000954 | Pa×s | 651.26 | Calculated Property |
| η | 0.0000730 | Pa×s | 686.69 | Calculated Property |
| η | 0.0000574 | Pa×s | 722.13 | Calculated Property |
| η | 0.0000461 | Pa×s | 757.57 | Calculated Property |
| η | 0.0000378 | Pa×s | 793.01 | Calculated Property |
Similar Compounds
Find more compounds similar to 5-Phenylvaleric acid, heptadecyl ester.
Sources
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