- InChI
- InChI=1S/C16H24O2/c1-12-5-4-7-16(3)8-6-14(9-15(12)16)13(2)10-18-11-17/h6,11,13,15H,1,4-5,7-10H2,2-3H3/t13?,15?,16-/m1/s1
- InChI Key
- UZYFBQUUFYMFQV-AVVWSFFYSA-N
- Formula
- C16H24O2
- SMILES
-
C=C1CCCC2(C)CC=C(C(C)COC=O)CC1
2 - Molecular Weight1
- 248.36
- 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.
- I : 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° | 17.90 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -329.90 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 18.40 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 60.43 | kJ/mol | Joback Calculated Property |
| log10WS | -4.15 | Crippen Calculated Property | |
| logPoct/wat | 3.878 | Crippen Calculated Property | |
| McVol | 213.420 | ml/mol | McGowan Calculated Property |
| Pc | 1985.89 | kPa | Joback Calculated Property |
| Inp | 1745.00 | NIST | |
| I | [2330.00; 2330.00] |
|
|
| I | 2330.00 | NIST | |
| I | 2330.00 | NIST | |
| Tboil | 670.22 | K | Joback Calculated Property |
| Tc | 888.41 | K | Joback Calculated Property |
| Tfus | 391.97 | K | Joback Calculated Property |
| Vc | 0.810 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [608.89; 715.19] | J/mol×K | [670.22; 888.41] |
|
| Cp,gas | 608.89 | J/mol×K | 670.22 | Joback Calculated Property |
| Cp,gas | 628.79 | J/mol×K | 706.58 | Joback Calculated Property |
| Cp,gas | 647.64 | J/mol×K | 742.95 | Joback Calculated Property |
| Cp,gas | 665.58 | J/mol×K | 779.31 | Joback Calculated Property |
| Cp,gas | 682.73 | J/mol×K | 815.68 | Joback Calculated Property |
| Cp,gas | 699.23 | J/mol×K | 852.04 | Joback Calculated Property |
| Cp,gas | 715.19 | J/mol×K | 888.41 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to trans-Eudesma-4(15),7-dien-12-yl formate.
Sources
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