- InChI
- InChI=1S/C17H30O2/c1-5-6-7-8-12-17(18)19-14-13-16(4)11-9-10-15(2)3/h10,13H,5-9,11-12,14H2,1-4H3/b16-13-
- InChI Key
- NSMHPPLPBQPIQJ-SSZFMOIBSA-N
- Formula
- C17H30O2
- SMILES
- CCCCCCC(=O)OCC=C(C)CCC=C(C)C
- Molecular Weight1
- 266.42
- Other Names
-
- Neryl-n-heptanoate
- 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° | 1.68 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -424.15 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 40.36 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 62.67 | kJ/mol | Joback Calculated Property |
| log10WS | -5.51 | Crippen Calculated Property | |
| logPoct/wat | 5.193 | Crippen Calculated Property | |
| McVol | 249.230 | ml/mol | McGowan Calculated Property |
| Pc | 1381.96 | kPa | Joback Calculated Property |
| Inp | [1806.00; 1820.00] |
|
|
| Inp | 1820.00 | NIST | |
| Inp | 1806.00 | NIST | |
| Inp | 1808.00 | NIST | |
| Inp | 1808.00 | NIST | |
| I | [2120.00; 2120.00] |
|
|
| I | 2120.00 | NIST | |
| I | 2120.00 | NIST | |
| Tboil | 672.73 | K | Joback Calculated Property |
| Tc | 854.15 | K | Joback Calculated Property |
| Tfus | 315.43 | K | Joback Calculated Property |
| Vc | 0.974 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [688.75; 783.68] | J/mol×K | [672.73; 854.15] |
|
| Cp,gas | 688.75 | J/mol×K | 672.73 | Joback Calculated Property |
| Cp,gas | 706.58 | J/mol×K | 702.97 | Joback Calculated Property |
| Cp,gas | 723.56 | J/mol×K | 733.20 | Joback Calculated Property |
| Cp,gas | 739.73 | J/mol×K | 763.44 | Joback Calculated Property |
| Cp,gas | 755.11 | J/mol×K | 793.68 | Joback Calculated Property |
| Cp,gas | 769.75 | J/mol×K | 823.92 | Joback Calculated Property |
| Cp,gas | 783.68 | J/mol×K | 854.15 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Neryl heptanoate.
Sources
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