- InChI
- InChI=1S/C15H26O2/c1-5-6-10-15(16)17-12-11-14(4)9-7-8-13(2)3/h8,11H,5-7,9-10,12H2,1-4H3/b14-11-
- InChI Key
- CVSWGLSBJFKWMW-KAMYIIQDSA-N
- Formula
- C15H26O2
- SMILES
- CCCCC(=O)OCC=C(C)CCC=C(C)C
- Molecular Weight1
- 238.37
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- 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.
- I : 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° | -15.16 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -382.87 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 35.18 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 58.22 | kJ/mol | Joback Calculated Property |
| log10WS | -4.67 | Crippen Calculated Property | |
| logPoct/wat | 4.412 | Crippen Calculated Property | |
| McVol | 221.050 | ml/mol | McGowan Calculated Property |
| Pc | 1602.56 | kPa | Joback Calculated Property |
| Inp | [1610.00; 1618.00] |
|
|
| Inp | 1618.00 | NIST | |
| Inp | 1610.00 | NIST | |
| I | [1930.00; 1974.00] |
|
|
| I | 1974.00 | NIST | |
| I | 1933.00 | NIST | |
| I | 1933.00 | NIST | |
| I | 1933.00 | NIST | |
| I | 1933.00 | NIST | |
| I | 1930.00 | NIST | |
| I | 1974.00 | NIST | |
| Tboil | 626.97 | K | Joback Calculated Property |
| Tc | 810.82 | K | Joback Calculated Property |
| Tfus | 292.89 | K | Joback Calculated Property |
| Vc | 0.862 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [579.64; 670.10] | J/mol×K | [626.97; 810.82] |
|
| Cp,gas | 579.64 | J/mol×K | 626.97 | Joback Calculated Property |
| Cp,gas | 596.65 | J/mol×K | 657.61 | Joback Calculated Property |
| Cp,gas | 612.84 | J/mol×K | 688.25 | Joback Calculated Property |
| Cp,gas | 628.25 | J/mol×K | 718.90 | Joback Calculated Property |
| Cp,gas | 642.90 | J/mol×K | 749.54 | Joback Calculated Property |
| Cp,gas | 656.84 | J/mol×K | 780.18 | Joback Calculated Property |
| Cp,gas | 670.10 | J/mol×K | 810.82 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Neryl valerate.
Sources
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