- InChI
- InChI=1S/C20H30O2/c1-16(2)14-20(21)22-15-18(4)8-6-5-7-9-19-12-10-17(3)11-13-19/h8,10-13,16H,5-7,9,14-15H2,1-4H3/b18-8-
- InChI Key
- LBFPTRSLQDXDHA-LSCVHKIXSA-N
- Formula
- C20H30O2
- SMILES
-
CC(=CCCCCc1ccc(C)cc1)COC(=O)CC
(C)C - Molecular Weight1
- 302.45
- 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 | 0.7586 | Relay (... Calculated Property | |
| ΔfG° | 55.61 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -481.77 | kJ/mol | Relay (... Calculated Property |
| ΔfusH° | 39.36 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 92.82 | kJ/mol | Relay (... Calculated Property |
| IE | 8.16 | eV | Relay (... Calculated Property |
| log10WS | -5.62 | Relay (... Calculated Property | |
| logPoct/wat | 5.243 | Crippen Calculated Property | |
| McVol | 272.040 | ml/mol | McGowan Calculated Property |
| Pc | 1360.63 | kPa | Joback Calculated Property |
| Inp | [2025.00; 2058.00] |
|
|
| Inp | 2058.00 | NIST | |
| Inp | 2025.00 | NIST | |
| Inp | 2025.00 | NIST | |
| Tboil | 606.54 | K | Relay (... Calculated Property |
| Tc | 814.43 | K | Relay (... Calculated Property |
| Tfus | 266.11 | K | Relay (... Calculated Property |
| Vc | 0.988 | m3/kmol | Relay (... Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [801.80; 895.49] | J/mol×K | [768.55; 969.63] |
|
| Cp,gas | 801.80 | J/mol×K | 768.55 | Joback Calculated Property |
| Cp,gas | 819.94 | J/mol×K | 802.06 | Joback Calculated Property |
| Cp,gas | 837.00 | J/mol×K | 835.58 | Joback Calculated Property |
| Cp,gas | 853.04 | J/mol×K | 869.09 | Joback Calculated Property |
| Cp,gas | 868.10 | J/mol×K | 902.60 | Joback Calculated Property |
| Cp,gas | 882.24 | J/mol×K | 936.11 | Joback Calculated Property |
| Cp,gas | 895.49 | J/mol×K | 969.63 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to (Z)-Nuciferyl isovalerate.
Sources
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