- InChI
- InChI=1S/C26H48O2/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-21-26(27)28-23-22-25(4)20-18-19-24(2)3/h10-11,19,25H,5-9,12-18,20-23H2,1-4H3/b11-10-
- InChI Key
- ZHXFNDSMLZVRDU-KHPPLWFESA-N
- Formula
- C26H48O2
- SMILES
-
CCCCCCC=CCCCCCCCC(=O)OCCC(C)CC
C=C(C)C - Molecular Weight1
- 392.66
- ω : Acentric Factor.
- 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).
- IE : Ionization energy (eV).
- 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 |
|---|---|---|---|
| ω | 0.9799 | Relay (1.0) Calculated Property | |
| ΔfG° | 83.57 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -790.57 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 61.45 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 112.83 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.22 | eV | Relay (1.0) Calculated Property |
| log10WS | -7.71 | Relay (1.0) Calculated Property | |
| logPoct/wat | 8.559 | Crippen Calculated Property | |
| McVol | 376.040 | ml/mol | McGowan Calculated Property |
| Pc | 793.05 | kPa | Joback Calculated Property |
| Inp | [2696.90; 2696.90] |
|
|
| Inp | 2696.90 | NIST | |
| Inp | 2696.90 | NIST | |
| Tboil | 643.14 | K | Relay (1.0) Calculated Property |
| Tc | 818.86 | K | Relay (1.0) Calculated Property |
| Tfus | 258.89 | K | Relay (1.0) Calculated Property |
| Vc | 1.373 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1233.02; 1346.52] | J/mol×K | [878.33; 1075.33] |
|
| Cp,gas | 1233.02 | J/mol×K | 878.33 | Joback Calculated Property |
| Cp,gas | 1254.57 | J/mol×K | 911.16 | Joback Calculated Property |
| Cp,gas | 1274.96 | J/mol×K | 944.00 | Joback Calculated Property |
| Cp,gas | 1294.29 | J/mol×K | 976.83 | Joback Calculated Property |
| Cp,gas | 1312.61 | J/mol×K | 1009.66 | Joback Calculated Property |
| Cp,gas | 1329.99 | J/mol×K | 1042.50 | Joback Calculated Property |
| Cp,gas | 1346.52 | J/mol×K | 1075.33 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Citronellyl palmitoleate.
Sources
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