![1-hydroxy-(1-methoxy)-7-(methylethyl)[1,2,3,3«alpha»,4,5,6,7]-octahydroazulen](/cid/49-868-5/1-hydroxy-1-methoxy-7-methylethyl-1-2-3-3-alpha-4-5-6-7-octahydroazulen.png "1-hydroxy-(1-methoxy)-7-(methylethyl)[1,2,3,3«alpha»,4,5,6,7]-octahydroazulen")
- InChI
- InChI=1S/C13H22O/c1-9(2)11-5-3-4-10-6-7-13(14)12(10)8-11/h8-11,13-14H,3-7H2,1-2H3
- InChI Key
- ZKWSHMCGJMCXMN-UHFFFAOYSA-N
- Formula
- C13H22O
- SMILES
- CC(C)C1C=C2C(O)CCC2CCC1
- Molecular Weight1
- 194.31
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- η : Dynamic viscosity (Pa×s).
- 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° | 5.04 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -322.23 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 19.77 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 61.98 | kJ/mol | Joback Calculated Property |
| log10WS | -3.56 | Crippen Calculated Property | |
| logPoct/wat | 3.140 | Crippen Calculated Property | |
| McVol | 173.880 | ml/mol | McGowan Calculated Property |
| Pc | 2455.60 | kPa | Joback Calculated Property |
| Inp | [1735.00; 1735.00] |
|
|
| Inp | 1735.00 | NIST | |
| Inp | 1735.00 | NIST | |
| Tboil | 618.61 | K | Joback Calculated Property |
| Tc | 822.69 | K | Joback Calculated Property |
| Tfus | 312.93 | K | Joback Calculated Property |
| Vc | 0.643 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [491.00; 589.20] | J/mol×K | [618.61; 822.69] |
|
| Cp,gas | 491.00 | J/mol×K | 618.61 | Joback Calculated Property |
| Cp,gas | 509.99 | J/mol×K | 652.62 | Joback Calculated Property |
| Cp,gas | 527.88 | J/mol×K | 686.64 | Joback Calculated Property |
| Cp,gas | 544.70 | J/mol×K | 720.65 | Joback Calculated Property |
| Cp,gas | 560.49 | J/mol×K | 754.66 | Joback Calculated Property |
| Cp,gas | 575.31 | J/mol×K | 788.68 | Joback Calculated Property |
| Cp,gas | 589.20 | J/mol×K | 822.69 | Joback Calculated Property |
| η | [0.0001402; 0.0102693] | Pa×s | [312.93; 618.61] |
|
| η | 0.0102693 | Pa×s | 312.93 | Joback Calculated Property |
| η | 0.0030423 | Pa×s | 363.88 | Joback Calculated Property |
| η | 0.0012152 | Pa×s | 414.82 | Joback Calculated Property |
| η | 0.0005933 | Pa×s | 465.77 | Joback Calculated Property |
| η | 0.0003337 | Pa×s | 516.72 | Joback Calculated Property |
| η | 0.0002081 | Pa×s | 567.66 | Joback Calculated Property |
| η | 0.0001402 | Pa×s | 618.61 | Joback Calculated Property |
Similar Compounds
Sources
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