- InChI
- InChI=1S/C20H30O2/c1-5-18(4)20(21)22-15-17(3)9-7-6-8-10-19-13-11-16(2)12-14-19/h9,11-14,18H,5-8,10,15H2,1-4H3/b17-9+
- InChI Key
- GFHTTYIWKJYNHU-RQZCQDPDSA-N
- Formula
- C20H30O2
- SMILES
-
CCC(C)C(=O)OCC(C)=CCCCCc1ccc(C
)cc1 - Molecular Weight1
- 302.45
- 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° | 55.61 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -373.72 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 39.36 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 71.86 | kJ/mol | Joback Calculated Property |
| log10WS | -5.83 | Crippen 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 | [2075.00; 2101.00] |
|
|
| Inp | 2101.00 | NIST | |
| Inp | 2081.00 | NIST | |
| Inp | 2075.00 | NIST | |
| Inp | 2101.00 | NIST | |
| Tboil | 768.55 | K | Joback Calculated Property |
| Tc | 969.63 | K | Joback Calculated Property |
| Tfus | 392.22 | K | Joback Calculated Property |
| Vc | 1.046 | m3/kmol | Joback 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 (E)-Nuciferyl 2-methylbutyrate.
Sources
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