- InChI
- InChI=1S/C10H16O2/c1-5-10(4)9(11)6-8(12-10)7(2)3/h5,9,11H,1,6H2,2-4H3/t9-,10-/m1/s1
- InChI Key
- BMSMUURKSKTZQD-NXEZZACHSA-N
- Formula
- C10H16O2
- SMILES
- C=CC1(C)OC(=C(C)C)CC1O
- Molecular Weight1
- 168.23
- 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° | -41.52 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -286.91 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 20.16 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 58.04 | kJ/mol | Joback Calculated Property |
| log10WS | -2.68 | Crippen Calculated Property | |
| logPoct/wat | 2.006 | Crippen Calculated Property | |
| McVol | 144.040 | ml/mol | McGowan Calculated Property |
| Pc | 2995.87 | kPa | Joback Calculated Property |
| I | [2057.00; 2057.00] |
|
|
| I | 2057.00 | NIST | |
| I | 2057.00 | NIST | |
| Tboil | 561.38 | K | Joback Calculated Property |
| Tc | 760.09 | K | Joback Calculated Property |
| Tfus | 315.05 | K | Joback Calculated Property |
| Vc | 0.538 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [361.15; 433.26] | J/mol×K | [561.38; 760.09] |
|
| Cp,gas | 361.15 | J/mol×K | 561.38 | Joback Calculated Property |
| Cp,gas | 374.79 | J/mol×K | 594.50 | Joback Calculated Property |
| Cp,gas | 387.65 | J/mol×K | 627.62 | Joback Calculated Property |
| Cp,gas | 399.83 | J/mol×K | 660.73 | Joback Calculated Property |
| Cp,gas | 411.43 | J/mol×K | 693.85 | Joback Calculated Property |
| Cp,gas | 422.54 | J/mol×K | 726.97 | Joback Calculated Property |
| Cp,gas | 433.26 | J/mol×K | 760.09 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to cis-4-hydroxylinalool 3,6 oxide.
Sources
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