- InChI
- InChI=1S/C13H22O2/c1-9(14)10-8-11-12(2,3)6-5-7-13(11,4)15-10/h8-10,14H,5-7H2,1-4H3/t9?,10-,13-/m0/s1
- InChI Key
- NAYQQVFNOVWFLP-UXSKAQMCSA-N
- Formula
- C13H22O2
- SMILES
- CC(O)C1C=C2C(C)(C)CCCC2(C)O1
- Molecular Weight1
- 210.31
- 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° | -79.96 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -417.59 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 17.25 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 64.02 | kJ/mol | Joback Calculated Property |
| log10WS | -3.35 | Crippen Calculated Property | |
| logPoct/wat | 2.661 | Crippen Calculated Property | |
| McVol | 179.750 | ml/mol | McGowan Calculated Property |
| Pc | 2597.78 | kPa | Joback Calculated Property |
| Inp | [1200.00; 1211.00] |
|
|
| Inp | 1200.00 | NIST | |
| Inp | 1211.00 | NIST | |
| Tboil | 641.77 | K | Joback Calculated Property |
| Tc | 852.34 | K | Joback Calculated Property |
| Tfus | 390.82 | K | Joback Calculated Property |
| Vc | 0.668 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [516.48; 611.01] | J/mol×K | [641.77; 852.34] |
|
| Cp,gas | 516.48 | J/mol×K | 641.77 | Joback Calculated Property |
| Cp,gas | 533.45 | J/mol×K | 676.87 | Joback Calculated Property |
| Cp,gas | 549.65 | J/mol×K | 711.96 | Joback Calculated Property |
| Cp,gas | 565.31 | J/mol×K | 747.06 | Joback Calculated Property |
| Cp,gas | 580.61 | J/mol×K | 782.15 | Joback Calculated Property |
| Cp,gas | 595.78 | J/mol×K | 817.25 | Joback Calculated Property |
| Cp,gas | 611.01 | J/mol×K | 852.34 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to trans-actinidol.
Sources
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