- InChI
- InChI=1S/C15H16O2/c1-2-3-8-15(16)17-14-10-9-12-6-4-5-7-13(12)11-14/h4-7,9-11H,2-3,8H2,1H3
- InChI Key
- ZMPGOHSLJBONFZ-UHFFFAOYSA-N
- Formula
- C15H16O2
- SMILES
- CCCCC(=O)Oc1ccc2ccccc2c1
- Molecular Weight1
- 228.29
- 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).
- 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 |
|---|---|---|---|
| ΔfG° | 50.93 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -181.60 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 28.06 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 62.72 | kJ/mol | Joback Calculated Property |
| log10WS | -4.85 | Crippen Calculated Property | |
| logPoct/wat | 3.935 | Crippen Calculated Property | |
| McVol | 186.430 | ml/mol | McGowan Calculated Property |
| Pc | 2377.22 | kPa | Joback Calculated Property |
| Inp | 1893.00 | NIST | |
| Tboil | 669.53 | K | Joback Calculated Property |
| Tc | 891.56 | K | Joback Calculated Property |
| Tfus | 402.61 | K | Joback Calculated Property |
| Vc | 0.714 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [484.87; 561.37] | J/mol×K | [669.53; 891.56] | 
|
| Cp,gas | 484.87 | J/mol×K | 669.53 | Joback Calculated Property |
| Cp,gas | 499.97 | J/mol×K | 706.54 | Joback Calculated Property |
| Cp,gas | 514.06 | J/mol×K | 743.54 | Joback Calculated Property |
| Cp,gas | 527.18 | J/mol×K | 780.55 | Joback Calculated Property |
| Cp,gas | 539.41 | J/mol×K | 817.55 | Joback Calculated Property |
| Cp,gas | 550.78 | J/mol×K | 854.56 | Joback Calculated Property |
| Cp,gas | 561.37 | J/mol×K | 891.56 | Joback Calculated Property |
| η | [0.0002366; 0.0013729] | Pa×s | [402.61; 669.53] |
|
| η | 0.0013729 | Pa×s | 402.61 | Joback Calculated Property |
| η | 0.0008852 | Pa×s | 447.10 | Joback Calculated Property |
| η | 0.0006179 | Pa×s | 491.58 | Joback Calculated Property |
| η | 0.0004579 | Pa×s | 536.07 | Joback Calculated Property |
| η | 0.0003552 | Pa×s | 580.56 | Joback Calculated Property |
| η | 0.0002857 | Pa×s | 625.04 | Joback Calculated Property |
| η | 0.0002366 | Pa×s | 669.53 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Valeric acid, 2-naphthyl ester.
Sources
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