- InChI
- InChI=1S/C16H22O2/c1-14-8-10-16(11-9-14)7-5-3-4-6-15(2)12-18-13-17/h6,8-11,13H,3-5,7,12H2,1-2H3/b15-6+
- InChI Key
- LIGLXUWLWGOJKZ-GIDUJCDVSA-N
- Formula
- C16H22O2
- SMILES
- CC(=CCCCCc1ccc(C)cc1)COC=O
- Molecular Weight1
- 246.34
- 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° | 53.77 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -258.88 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 33.22 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 63.32 | kJ/mol | Joback Calculated Property |
| log10WS | -4.40 | Crippen Calculated Property | |
| logPoct/wat | 3.827 | Crippen Calculated Property | |
| McVol | 215.680 | ml/mol | McGowan Calculated Property |
| Pc | 1851.52 | kPa | Joback Calculated Property |
| Inp | [1775.00; 1777.00] |
|
|
| Inp | 1775.00 | NIST | |
| Inp | 1777.00 | NIST | |
| Inp | 1777.00 | NIST | |
| Tboil | 672.26 | K | Joback Calculated Property |
| Tc | 874.43 | K | Joback Calculated Property |
| Tfus | 354.21 | K | Joback Calculated Property |
| Vc | 0.840 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [577.18; 662.60] | J/mol×K | [672.26; 874.43] |
|
| Cp,gas | 577.18 | J/mol×K | 672.26 | Joback Calculated Property |
| Cp,gas | 593.64 | J/mol×K | 705.95 | Joback Calculated Property |
| Cp,gas | 609.16 | J/mol×K | 739.65 | Joback Calculated Property |
| Cp,gas | 623.77 | J/mol×K | 773.34 | Joback Calculated Property |
| Cp,gas | 637.52 | J/mol×K | 807.04 | Joback Calculated Property |
| Cp,gas | 650.46 | J/mol×K | 840.73 | Joback Calculated Property |
| Cp,gas | 662.60 | J/mol×K | 874.43 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to (E)-nuciferyl formate.
Sources
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