- InChI
- InChI=1S/C24H40O2/c1-2-3-4-5-6-7-8-9-10-11-17-22-26-24(25)21-16-15-20-23-18-13-12-14-19-23/h12-14,18-19H,2-11,15-17,20-22H2,1H3
- InChI Key
- FVJLOOXMSXBFRL-UHFFFAOYSA-N
- Formula
- C24H40O2
- SMILES
-
CCCCCCCCCCCCCOC(=O)CCCCc1ccccc
1 - Molecular Weight1
- 360.58
- 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 | 1.0459 | Relay (1.0) Calculated Property | |
| ΔfG° | -46.76 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -613.48 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 56.33 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 116.33 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.89 | eV | Relay (1.0) Calculated Property |
| log10WS | -7.08 | Relay (1.0) Calculated Property | |
| logPoct/wat | 7.254 | Crippen Calculated Property | |
| McVol | 332.700 | ml/mol | McGowan Calculated Property |
| Pc | 985.16 | kPa | Joback Calculated Property |
| Inp | [2717.00; 2717.00] |
|
|
| Inp | 2717.00 | NIST | |
| Inp | 2717.00 | NIST | |
| Tboil | 655.57 | K | Relay (1.0) Calculated Property |
| Tc | 849.61 | K | Relay (1.0) Calculated Property |
| Tfus | 285.70 | K | Relay (1.0) Calculated Property |
| Vc | 1.270 | m3/kmol | Relay (1.0) Calculated Property |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [473.69; 1147.10] | 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 | -2.74240e+01 | |||
| Coefficient B | 2.15012e+00 | |||
| Coefficient C | -1.21840e-03 | |||
| Coefficient D | 2.42800e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 473.69 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 591.50 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 696.77 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 790.26 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 872.76 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 945.02 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 1007.82 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 1061.92 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 1108.09 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 1147.10 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0011099; 0.0000670] | Pa×s | [428.99; 717.85] |
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 | -1.37813e+01 | |||
| Coefficient B | 2.99342e+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. | 428.99 | |||
| Temperature range, max. | 717.85 | |||
| η | 0.0011099 | Pa×s | 428.99 | Calculated Property |
| η | 0.0006829 | Pa×s | 461.09 | Calculated Property |
| η | 0.0004476 | Pa×s | 493.18 | Calculated Property |
| η | 0.0003089 | Pa×s | 525.28 | Calculated Property |
| η | 0.0002225 | Pa×s | 557.37 | Calculated Property |
| η | 0.0001661 | Pa×s | 589.47 | Calculated Property |
| η | 0.0001278 | Pa×s | 621.57 | Calculated Property |
| η | 0.0001009 | Pa×s | 653.66 | Calculated Property |
| η | 0.0000814 | Pa×s | 685.76 | Calculated Property |
| η | 0.0000670 | Pa×s | 717.85 | Calculated Property |
Similar Compounds
Find more compounds similar to 5-Phenylvaleric acid, tridecyl ester.
Sources
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