- InChI
- InChI=1S/C18H26O2/c1-5-18(19)20-13-15(3)7-6-8-16(4)17-11-9-14(2)10-12-17/h7,9-12,16H,5-6,8,13H2,1-4H3/b15-7-
- InChI Key
- MGDICXSXKLAPND-CHHVJCJISA-N
- Formula
- C18H26O2
- SMILES
-
CCC(=O)OCC(C)=CCCC(C)c1ccc(C)c
c1 - Molecular Weight1
- 274.40
- 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 | 0.6444 | Relay (... Calculated Property | |
| ΔfG° | 38.77 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -433.66 | kJ/mol | Relay (... Calculated Property |
| ΔfusH° | 34.18 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 88.59 | kJ/mol | Relay (... Calculated Property |
| IE | 8.09 | eV | Relay (... Calculated Property |
| log10WS | -4.94 | Relay (... Calculated Property | |
| logPoct/wat | 4.778 | Crippen Calculated Property | |
| McVol | 243.860 | ml/mol | McGowan Calculated Property |
| Pc | 1575.95 | kPa | Joback Calculated Property |
| Inp | [1901.00; 1910.00] |
|
|
| Inp | 1901.00 | NIST | |
| Inp | 1910.00 | NIST | |
| Inp | 1901.00 | NIST | |
| Tboil | 598.40 | K | Relay (... Calculated Property |
| Tc | 793.86 | K | Relay (... Calculated Property |
| Tfus | 274.73 | K | Relay (... Calculated Property |
| Vc | 0.868 | m3/kmol | Relay (... Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [687.56; 778.82] | J/mol×K | [722.79; 927.32] |
|
| Cp,gas | 687.56 | J/mol×K | 722.79 | Joback Calculated Property |
| Cp,gas | 705.25 | J/mol×K | 756.88 | Joback Calculated Property |
| Cp,gas | 721.88 | J/mol×K | 790.97 | Joback Calculated Property |
| Cp,gas | 737.51 | J/mol×K | 825.05 | Joback Calculated Property |
| Cp,gas | 752.18 | J/mol×K | 859.14 | Joback Calculated Property |
| Cp,gas | 765.94 | J/mol×K | 893.23 | Joback Calculated Property |
| Cp,gas | 778.82 | J/mol×K | 927.32 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to (Z)-Nuciferyl propionate.
Sources
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