- InChI
- InChI=1S/C28H52O2/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-23-28(29)30-25-24-27(4)22-20-21-26(2)3/h12-13,21,27H,5-11,14-20,22-25H2,1-4H3/b13-12-
- InChI Key
- ZSJIOYGPFQLUAF-SEYXRHQNSA-N
- Formula
- C28H52O2
- SMILES
-
CCCCCCCCC=CCCCCCCCC(=O)OCCC(C)
CCC=C(C)C - Molecular Weight1
- 420.71
- CAS
- 119742-35-7
- 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.
- 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° | 100.41 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -646.68 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 66.63 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 86.69 | kJ/mol | Joback Calculated Property |
| log10WS | -9.87 | Crippen Calculated Property | |
| logPoct/wat | 9.340 | Crippen Calculated Property | |
| McVol | 404.220 | ml/mol | McGowan Calculated Property |
| Pc | 713.77 | kPa | Joback Calculated Property |
| Inp | [2893.20; 2893.20] |
|
|
| Inp | 2893.20 | NIST | |
| Inp | 2893.20 | NIST | |
| Tboil | 924.09 | K | Joback Calculated Property |
| Tc | 1133.11 | K | Joback Calculated Property |
| Tfus | 438.36 | K | Joback Calculated Property |
| Vc | 1.583 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1362.36; 1482.12] | J/mol×K | [924.09; 1133.11] |
|
| Cp,gas | 1362.36 | J/mol×K | 924.09 | Joback Calculated Property |
| Cp,gas | 1385.20 | J/mol×K | 958.93 | Joback Calculated Property |
| Cp,gas | 1406.77 | J/mol×K | 993.76 | Joback Calculated Property |
| Cp,gas | 1427.15 | J/mol×K | 1028.60 | Joback Calculated Property |
| Cp,gas | 1446.44 | J/mol×K | 1063.44 | Joback Calculated Property |
| Cp,gas | 1464.74 | J/mol×K | 1098.28 | Joback Calculated Property |
| Cp,gas | 1482.12 | J/mol×K | 1133.11 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Citronellyl oleate.
Sources
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