- InChI
- InChI=1S/C15H24O2/c1-6-14(5)15(16)17-11-10-13(4)9-7-8-12(2)3/h6,8,10H,7,9,11H2,1-5H3/b13-10-,14-6-
- InChI Key
- OGHBUHJLMHQMHS-FKVVRQRCSA-N
- Formula
- C15H24O2
- SMILES
- CC=C(C)C(=O)OCC=C(C)CCC=C(C)C
- Molecular Weight1
- 236.35
- 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° | 56.51 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -275.44 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 34.07 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 58.25 | kJ/mol | Joback Calculated Property |
| log10WS | -4.52 | Crippen Calculated Property | |
| logPoct/wat | 4.189 | Crippen Calculated Property | |
| McVol | 216.750 | ml/mol | McGowan Calculated Property |
| Pc | 1678.28 | kPa | Joback Calculated Property |
| Inp | 1604.00 | NIST | |
| I | 1970.00 | NIST | |
| Tboil | 631.01 | K | Joback Calculated Property |
| Tc | 824.40 | K | Joback Calculated Property |
| Tfus | 273.85 | K | Joback Calculated Property |
| Vc | 0.843 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [558.71; 647.37] | J/mol×K | [631.01; 824.40] | 
|
| Cp,gas | 558.71 | J/mol×K | 631.01 | Joback Calculated Property |
| Cp,gas | 575.50 | J/mol×K | 663.24 | Joback Calculated Property |
| Cp,gas | 591.43 | J/mol×K | 695.47 | Joback Calculated Property |
| Cp,gas | 606.52 | J/mol×K | 727.71 | Joback Calculated Property |
| Cp,gas | 620.85 | J/mol×K | 759.94 | Joback Calculated Property |
| Cp,gas | 634.44 | J/mol×K | 792.17 | Joback Calculated Property |
| Cp,gas | 647.37 | J/mol×K | 824.40 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Neryl angelate.
Sources
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