- InChI
- InChI=1S/C21H34O2/c1-2-3-4-5-6-7-8-14-19-23-21(22)18-13-12-17-20-15-10-9-11-16-20/h9-11,15-16H,2-8,12-14,17-19H2,1H3
- InChI Key
- YBLXZQYXKMJFIF-UHFFFAOYSA-N
- Formula
- C21H34O2
- SMILES
- CCCCCCCCCCOC(=O)CCCCc1ccccc1
- Molecular Weight1
- 318.49
- 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 | 0.9397 | Relay (1.0) Calculated Property | |
| ΔfG° | -72.02 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -549.30 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 48.56 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 103.38 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.76 | eV | Relay (1.0) Calculated Property |
| log10WS | -6.20 | Relay (1.0) Calculated Property | |
| logPoct/wat | 6.083 | Crippen Calculated Property | |
| McVol | 290.430 | ml/mol | McGowan Calculated Property |
| Pc | 1190.70 | kPa | Joback Calculated Property |
| Inp | [2402.00; 2402.00] |
|
|
| Inp | 2402.00 | NIST | |
| Inp | 2402.00 | NIST | |
| Tboil | 635.35 | K | Relay (1.0) Calculated Property |
| Tc | 827.95 | K | Relay (1.0) Calculated Property |
| Tfus | 273.64 | K | Relay (1.0) Calculated Property |
| Vc | 1.105 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [877.30; 973.74] | J/mol×K | [764.98; 953.16] |
|
| Cp,gas | 877.30 | J/mol×K | 764.98 | Joback Calculated Property |
| Cp,gas | 896.00 | J/mol×K | 796.34 | Joback Calculated Property |
| Cp,gas | 913.60 | J/mol×K | 827.71 | Joback Calculated Property |
| Cp,gas | 930.13 | J/mol×K | 859.07 | Joback Calculated Property |
| Cp,gas | 945.64 | J/mol×K | 890.43 | Joback Calculated Property |
| Cp,gas | 960.16 | J/mol×K | 921.80 | Joback Calculated Property |
| Cp,gas | 973.74 | J/mol×K | 953.16 | Joback Calculated Property |
| η | [0.0000575; 0.0015831] | Pa×s | [395.18; 764.98] |
|
| η | 0.0015831 | Pa×s | 395.18 | Joback Calculated Property |
| η | 0.0006274 | Pa×s | 456.81 | Joback Calculated Property |
| η | 0.0003099 | Pa×s | 518.45 | Joback Calculated Property |
| η | 0.0001778 | Pa×s | 580.08 | Joback Calculated Property |
| η | 0.0001135 | Pa×s | 641.71 | Joback Calculated Property |
| η | 0.0000784 | Pa×s | 703.35 | Joback Calculated Property |
| η | 0.0000575 | Pa×s | 764.98 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 5-Phenylvaleric acid, decyl ester.
Sources
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