- InChI
- InChI=1S/C15H26O2/c1-11(2)13-7-5-12(3)6-8-14(16)15(4,17)10-9-13/h6,9-11,13-14,16-17H,5,7-8H2,1-4H3/b10-9+,12-6-/t13-,14?,15+/m0/s1
- InChI Key
- GHCUEDNOTXRLCD-QHFJKWGLSA-N
- Formula
- C15H26O2
- SMILES
-
CC1=CCC(O)C(C)(O)C=CC(C(C)C)CC
1 - Molecular Weight1
- 238.37
- 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° | -195.23 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -554.34 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 20.59 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 82.55 | kJ/mol | Joback Calculated Property |
| log10WS | -3.97 | Crippen Calculated Property | |
| logPoct/wat | 3.057 | Crippen Calculated Property | |
| McVol | 214.490 | ml/mol | McGowan Calculated Property |
| Pc | 2214.53 | kPa | Joback Calculated Property |
| Inp | [1704.00; 1704.00] |
|
|
| Inp | 1704.00 | NIST | |
| Inp | 1704.00 | NIST | |
| Tboil | 757.35 | K | Joback Calculated Property |
| Tc | 958.78 | K | Joback Calculated Property |
| Tfus | 388.21 | K | Joback Calculated Property |
| Vc | 0.776 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [667.35; 761.60] | J/mol×K | [757.35; 958.78] |
|
| Cp,gas | 667.35 | J/mol×K | 757.35 | Joback Calculated Property |
| Cp,gas | 684.89 | J/mol×K | 790.92 | Joback Calculated Property |
| Cp,gas | 701.61 | J/mol×K | 824.49 | Joback Calculated Property |
| Cp,gas | 717.57 | J/mol×K | 858.06 | Joback Calculated Property |
| Cp,gas | 732.84 | J/mol×K | 891.64 | Joback Calculated Property |
| Cp,gas | 747.50 | J/mol×K | 925.21 | Joback Calculated Property |
| Cp,gas | 761.60 | J/mol×K | 958.78 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Germacra-1(10),5-dien-3,4-diol.
Sources
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