- InChI
- InChI=1S/C10H18O/c1-6-10(4,5)9(11)7-8(2)3/h6-7,9,11H,1H2,2-5H3
- InChI Key
- WPPVSYVQAKQNJK-UHFFFAOYSA-N
- Formula
- C10H18O
- SMILES
- C=CC(C)(C)C(O)C=C(C)C
- Molecular Weight1
- 154.25
- CAS
- 27644-04-8
- Other Names
-
- 3,3,6-Trimethyl-1,5-heptadien-4-ol
- 2,5,5-trimethylhepta-2,6-dien-4-ol
- Artemisia alcohol
- 3,3,6-Trimethylhepta-1,5-dien-4-ol
- (.+/-.)-Artemisia alcohol
- 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.
- 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° | 56.41 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -183.13 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 12.42 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 52.22 | kJ/mol | Joback Calculated Property |
| log10WS | -2.85 | Crippen Calculated Property | |
| logPoct/wat | 2.526 | Crippen Calculated Property | |
| McVol | 149.030 | ml/mol | McGowan Calculated Property |
| Pc | 2603.08 | kPa | Joback Calculated Property |
| Inp | [1064.00; 1093.00] |
|
|
| Inp | 1092.00 | NIST | |
| Inp | 1079.00 | NIST | |
| Inp | 1089.00 | NIST | |
| Inp | 1068.00 | NIST | |
| Inp | 1083.00 | NIST | |
| Inp | 1080.00 | NIST | |
| Inp | 1083.00 | NIST | |
| Inp | 1084.00 | NIST | |
| Inp | 1085.00 | NIST | |
| Inp | 1084.00 | NIST | |
| Inp | 1071.80 | NIST | |
| Inp | 1073.00 | NIST | |
| Inp | 1085.30 | NIST | |
| Inp | 1084.00 | NIST | |
| Inp | 1069.00 | NIST | |
| Inp | 1073.00 | NIST | |
| Inp | 1070.00 | NIST | |
| Inp | 1087.00 | NIST | |
| Inp | 1083.00 | NIST | |
| Inp | 1081.00 | NIST | |
| Inp | 1081.00 | NIST | |
| Inp | 1069.00 | NIST | |
| Inp | 1076.00 | NIST | |
| Inp | 1068.00 | NIST | |
| Inp | 1093.00 | NIST | |
| Inp | 1084.00 | NIST | |
| Inp | 1083.00 | NIST | |
| Inp | 1066.00 | NIST | |
| Inp | 1084.00 | NIST | |
| Inp | 1084.00 | NIST | |
| Inp | 1074.00 | NIST | |
| Inp | 1076.00 | NIST | |
| Inp | 1070.00 | NIST | |
| Inp | 1065.00 | NIST | |
| Inp | 1084.00 | NIST | |
| Inp | 1083.00 | NIST | |
| Inp | 1065.00 | NIST | |
| Inp | Outlier 1064.00 | NIST | |
| Inp | 1084.00 | NIST | |
| Inp | 1083.00 | NIST | |
| Inp | 1085.00 | NIST | |
| Inp | 1085.00 | NIST | |
| Inp | 1079.00 | NIST | |
| Inp | 1082.00 | NIST | |
| Inp | 1084.00 | NIST | |
| Inp | 1084.00 | NIST | |
| Inp | 1074.00 | NIST | |
| Inp | 1074.00 | NIST | |
| Inp | 1083.00 | NIST | |
| Inp | 1074.00 | NIST | |
| Inp | 1085.00 | NIST | |
| Inp | 1084.00 | NIST | |
| Inp | 1089.00 | NIST | |
| I | [1476.00; 1523.00] |
|
|
| I | 1515.00 | NIST | |
| I | 1488.00 | NIST | |
| I | 1523.00 | NIST | |
| I | 1478.00 | NIST | |
| I | Outlier 1476.00 | NIST | |
| I | 1510.00 | NIST | |
| I | 1495.00 | NIST | |
| I | 1509.00 | NIST | |
| I | 1510.00 | NIST | |
| I | 1511.00 | NIST | |
| I | 1510.00 | NIST | |
| I | 1510.00 | NIST | |
| I | 1495.00 | NIST | |
| I | 1510.00 | NIST | |
| I | 1510.00 | NIST | |
| I | 1510.00 | NIST | |
| I | 1495.00 | NIST | |
| I | 1515.00 | NIST | |
| I | 1478.00 | NIST | |
| I | 1510.00 | NIST | |
| Tboil | 517.43 | K | Joback Calculated Property |
| Tc | 700.79 | K | Joback Calculated Property |
| Tfus | 229.90 | K | Joback Calculated Property |
| Vc | 0.559 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [347.28; 418.68] | J/mol×K | [517.43; 700.79] |
|
| Cp,gas | 347.28 | J/mol×K | 517.43 | Joback Calculated Property |
| Cp,gas | 360.97 | J/mol×K | 547.99 | Joback Calculated Property |
| Cp,gas | 373.89 | J/mol×K | 578.55 | Joback Calculated Property |
| Cp,gas | 386.07 | J/mol×K | 609.11 | Joback Calculated Property |
| Cp,gas | 397.57 | J/mol×K | 639.67 | Joback Calculated Property |
| Cp,gas | 408.42 | J/mol×K | 670.23 | Joback Calculated Property |
| Cp,gas | 418.68 | J/mol×K | 700.79 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 1,5-Heptadien-4-ol, 3,3,6-trimethyl-.
Sources
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Outlier This icon means
that the value is more than 2 standard deviations away from the
property mean.