- InChI
- InChI=1S/C14H22O4/c1-11(2)6-5-7-14(10-18-13(4)16)8-9-17-12(3)15/h6,8H,5,7,9-10H2,1-4H3/b14-8+
- InChI Key
- BGMGTQUWFVQNBG-RIYZIHGNSA-N
- Formula
- C14H22O4
- SMILES
- CC(=O)OCC=C(CCC=C(C)C)COC(C)=O
- Molecular Weight1
- 254.32
- 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° | -257.50 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -607.03 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 35.37 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 65.15 | kJ/mol | Joback Calculated Property |
| log10WS | -3.12 | Crippen Calculated Property | |
| logPoct/wat | 2.785 | Crippen Calculated Property | |
| McVol | 214.400 | ml/mol | McGowan Calculated Property |
| Pc | 1801.56 | kPa | Joback Calculated Property |
| Inp | 1660.00 | NIST | |
| I | 2325.00 | NIST | |
| Tboil | 680.38 | K | Joback Calculated Property |
| Tc | 872.22 | K | Joback Calculated Property |
| Tfus | 353.78 | K | Joback Calculated Property |
| Vc | 0.830 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [577.21; 655.92] | J/mol×K | [680.38; 872.22] | 
|
| Cp,gas | 577.21 | J/mol×K | 680.38 | Joback Calculated Property |
| Cp,gas | 592.19 | J/mol×K | 712.35 | Joback Calculated Property |
| Cp,gas | 606.40 | J/mol×K | 744.33 | Joback Calculated Property |
| Cp,gas | 619.85 | J/mol×K | 776.30 | Joback Calculated Property |
| Cp,gas | 632.57 | J/mol×K | 808.27 | Joback Calculated Property |
| Cp,gas | 644.59 | J/mol×K | 840.24 | Joback Calculated Property |
| Cp,gas | 655.92 | J/mol×K | 872.22 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 10-Acetoxyneryl acetate.
Sources
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