- InChI
- InChI=1S/C18H26O2/c1-14(2)18(19)20-13-15(3)9-8-10-16(4)17-11-6-5-7-12-17/h5-7,9,11-12,14,16H,8,10,13H2,1-4H3/b15-9+
- InChI Key
- RDCVUVRTJSALNC-OQLLNIDSSA-N
- Formula
- C18H26O2
- SMILES
-
CC(=CCCC(C)c1ccccc1)COC(=O)C(C
)C - 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 | 0.6096 | Relay (... Calculated Property | |
| ΔfG° | 45.96 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -415.45 | kJ/mol | Relay (... Calculated Property |
| ΔfusH° | 31.05 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 84.66 | kJ/mol | Relay (... Calculated Property |
| IE | 8.50 | eV | Relay (... Calculated Property |
| log10WS | -4.67 | Relay (... Calculated Property | |
| logPoct/wat | 4.716 | Crippen Calculated Property | |
| McVol | 243.860 | ml/mol | McGowan Calculated Property |
| Pc | 1605.13 | kPa | Joback Calculated Property |
| Inp | [1992.00; 1997.00] |
|
|
| Inp | 1992.00 | NIST | |
| Inp | 1997.00 | NIST | |
| Inp | 1992.00 | NIST | |
| Tboil | 577.94 | K | Relay (... Calculated Property |
| Tc | 788.39 | K | Relay (... Calculated Property |
| Tfus | 273.58 | K | Relay (... Calculated Property |
| Vc | 0.870 | m3/kmol | Relay (... Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [688.45; 781.48] | J/mol×K | [717.37; 924.40] |
|
| Cp,gas | 688.45 | J/mol×K | 717.37 | Joback Calculated Property |
| Cp,gas | 706.57 | J/mol×K | 751.87 | Joback Calculated Property |
| Cp,gas | 723.58 | J/mol×K | 786.38 | Joback Calculated Property |
| Cp,gas | 739.52 | J/mol×K | 820.88 | Joback Calculated Property |
| Cp,gas | 754.45 | J/mol×K | 855.39 | Joback Calculated Property |
| Cp,gas | 768.42 | J/mol×K | 889.89 | Joback Calculated Property |
| Cp,gas | 781.48 | J/mol×K | 924.40 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to ( E)-nuciferyl 2-methylpropanoate.
Sources
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