- InChI
- InChI=1S/C15H26O2/c1-12(2)11-6-9-13(3)7-5-8-14(4,16)15(13,10-11)17-12/h11,16H,5-10H2,1-4H3/t11-,13+,14-,15-/m1/s1
- InChI Key
- XEAXSPJWIVZRTF-FAAHXZRKSA-N
- Formula
- C15H26O2
- SMILES
- CC1(C)OC23CC1CCC2(C)CCCC3(C)O
- 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).
- 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° | -38.95 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -416.96 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 11.73 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 65.21 | kJ/mol | Joback Calculated Property |
| log10WS | -3.99 | Crippen Calculated Property | |
| logPoct/wat | 3.275 | Crippen Calculated Property | |
| McVol | 201.370 | ml/mol | McGowan Calculated Property |
| Pc | 2510.03 | kPa | Joback Calculated Property |
| I | [2248.00; 2248.00] |
|
|
| I | 2248.00 | NIST | |
| I | 2248.00 | NIST | |
| Tboil | 686.38 | K | Joback Calculated Property |
| Tc | 911.90 | K | Joback Calculated Property |
| Tfus | 476.58 | K | Joback Calculated Property |
| Vc | 0.752 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [626.61; 753.13] | J/mol×K | [686.38; 911.90] |
|
| Cp,gas | 626.61 | J/mol×K | 686.38 | Joback Calculated Property |
| Cp,gas | 646.55 | J/mol×K | 723.97 | Joback Calculated Property |
| Cp,gas | 666.31 | J/mol×K | 761.55 | Joback Calculated Property |
| Cp,gas | 686.36 | J/mol×K | 799.14 | Joback Calculated Property |
| Cp,gas | 707.20 | J/mol×K | 836.72 | Joback Calculated Property |
| Cp,gas | 729.29 | J/mol×K | 874.31 | Joback Calculated Property |
| Cp,gas | 753.13 | J/mol×K | 911.90 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to (-)-4 «alpha»-hydroxydihydroagarofuran.
Sources
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