- InChI
- InChI=1S/C29H50O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-22-27-31-29(30)26-21-20-25-28-23-18-17-19-24-28/h17-19,23-24H,2-16,20-22,25-27H2,1H3
- InChI Key
- DVLVBBBQVOVUQF-UHFFFAOYSA-N
- Formula
- C29H50O2
- SMILES
-
CCCCCCCCCCCCCCCCCCOC(=O)CCCCc1
ccccc1 - Molecular Weight1
- 430.71
- 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 | 1.2215 | Relay (1.0) Calculated Property | |
| ΔfG° | -4.66 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -719.67 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 69.28 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 137.88 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.10 | eV | Relay (1.0) Calculated Property |
| log10WS | -8.59 | Relay (1.0) Calculated Property | |
| logPoct/wat | 9.204 | Crippen Calculated Property | |
| McVol | 403.150 | ml/mol | McGowan Calculated Property |
| Pc | 744.07 | kPa | Joback Calculated Property |
| Inp | [3237.00; 3237.00] |
|
|
| Inp | 3237.00 | NIST | |
| Inp | 3237.00 | NIST | |
| Tboil | 687.84 | K | Relay (1.0) Calculated Property |
| Tc | 881.87 | K | Relay (1.0) Calculated Property |
| Tfus | 299.75 | K | Relay (1.0) Calculated Property |
| Vc | 1.546 | m3/kmol | Relay (1.0) Calculated Property |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [579.76; 1405.05] | 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 | -3.19690e+01 | |||
| Coefficient B | 2.62512e+00 | |||
| Coefficient C | -1.49040e-03 | |||
| Coefficient D | 3.02300e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 579.76 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 723.59 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 852.15 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 966.41 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 1067.32 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 1155.83 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 1232.90 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 1299.49 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 1356.56 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 1405.05 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0005752; 0.0000323] | Pa×s | [485.34; 813.46] |
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 | -1.45985e+01 | |||
| Coefficient B | 3.46422e+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. | 485.34 | |||
| Temperature range, max. | 813.46 | |||
| η | 0.0005752 | Pa×s | 485.34 | Calculated Property |
| η | 0.0003493 | Pa×s | 521.80 | Calculated Property |
| η | 0.0002264 | Pa×s | 558.26 | Calculated Property |
| η | 0.0001548 | Pa×s | 594.71 | Calculated Property |
| η | 0.0001106 | Pa×s | 631.17 | Calculated Property |
| η | 0.0000819 | Pa×s | 667.63 | Calculated Property |
| η | 0.0000626 | Pa×s | 704.09 | Calculated Property |
| η | 0.0000492 | Pa×s | 740.55 | Calculated Property |
| η | 0.0000395 | Pa×s | 777.01 | Calculated Property |
| η | 0.0000323 | Pa×s | 813.46 | Calculated Property |
Similar Compounds
Find more compounds similar to 5-Phenylvaleric acid, octadecyl ester.
Sources
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