- InChI
- InChI=1S/C16H26O3/c1-11-7-9-16(10-8-11)12(2)5-6-14(19-16)13(3)15(17)18-4/h7,12-14H,5-6,8-10H2,1-4H3/t12-,13?,14?,16?/m1/s1
- InChI Key
- OLGPNLWRCFUIMD-BHTBLZRRSA-N
- Formula
- C16H26O3
- SMILES
-
COC(=O)C(C)C1CCC(C)C2(CC=C(C)C
C2)O1 - Molecular Weight1
- 266.38
- 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° | -170.51 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -599.64 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 25.82 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 64.67 | kJ/mol | Joback Calculated Property |
| log10WS | -3.85 | Crippen Calculated Property | |
| logPoct/wat | 3.480 | Crippen Calculated Property | |
| McVol | 223.590 | ml/mol | McGowan Calculated Property |
| Pc | 1905.24 | kPa | Joback Calculated Property |
| Inp | [1735.00; 1735.00] |
|
|
| Inp | 1735.00 | NIST | |
| Inp | 1735.00 | NIST | |
| Tboil | 702.82 | K | Joback Calculated Property |
| Tc | 928.10 | K | Joback Calculated Property |
| Tfus | 405.03 | K | Joback Calculated Property |
| Vc | 0.828 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [673.75; 788.92] | J/mol×K | [702.82; 928.10] |
|
| Cp,gas | 673.75 | J/mol×K | 702.82 | Joback Calculated Property |
| Cp,gas | 695.44 | J/mol×K | 740.37 | Joback Calculated Property |
| Cp,gas | 715.95 | J/mol×K | 777.91 | Joback Calculated Property |
| Cp,gas | 735.43 | J/mol×K | 815.46 | Joback Calculated Property |
| Cp,gas | 754.00 | J/mol×K | 853.00 | Joback Calculated Property |
| Cp,gas | 771.79 | J/mol×K | 890.55 | Joback Calculated Property |
| Cp,gas | 788.92 | J/mol×K | 928.10 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Methyl 6,10-epoxybisabol-3-en-12-oate.
Sources
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