- InChI
- InChI=1S/C10H16O/c1-5-10(4,11)8-6-7-9(2)3/h1,7,11H,6,8H2,2-4H3
- InChI Key
- YWTIDNZYLFTNQQ-UHFFFAOYSA-N
- Formula
- C10H16O
- SMILES
- C#CC(C)(O)CCC=C(C)C
- Molecular Weight1
- 152.23
- CAS
- 29171-20-8
- Other Names
-
- 3,7-Dimethyl-6-octen-1-yn-3-ol
- 2,7-Dimethyl-7-octen-5-yn-4-ol
- Dehydrolinalool
- Linalool, dehydro-
- Dehydro-«beta»-linalool
- 3,7-dimethyloct-6-en-1-yn-3-ol
- ω : Acentric Factor.
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- Cp,liquid : Liquid phase 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).
- ΔvapH : Enthalpy of vaporization at a given temperature (kJ/mol).
- IE : Ionization energy (eV).
- 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 |
|---|---|---|---|
| ω | 0.5184 | Relay (1.0) Calculated Property | |
| ΔfG° | 194.08 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -75.41 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 20.20 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 67.53 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.04 | eV | Relay (1.0) Calculated Property |
| log10WS | -1.89 | Relay (1.0) Calculated Property | |
| logPoct/wat | 2.117 | Crippen Calculated Property | |
| McVol | 144.730 | ml/mol | McGowan Calculated Property |
| Pc | 2884.30 | kPa | Joback Calculated Property |
| Inp | [1068.40; 1116.00] |
|
|
| Inp | 1091.00 | NIST | |
| Inp | 1068.40 | NIST | |
| Inp | 1072.00 | NIST | |
| Inp | 1116.00 | NIST | |
| Inp | 1091.00 | NIST | |
| Inp | 1072.00 | NIST | |
| I | 1617.00 | NIST | |
| Tboil | 466.13 | K | Relay (1.0) Calculated Property |
| Tc | 647.79 | K | Relay (1.0) Calculated Property |
| Tfus | 269.20 | K | Relay (1.0) Calculated Property |
| Vc | 0.502 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [330.17; 396.04] | J/mol×K | [511.31; 699.12] |
|
| Cp,gas | 330.17 | J/mol×K | 511.31 | Joback Calculated Property |
| Cp,gas | 342.88 | J/mol×K | 542.61 | Joback Calculated Property |
| Cp,gas | 354.83 | J/mol×K | 573.91 | Joback Calculated Property |
| Cp,gas | 366.08 | J/mol×K | 605.21 | Joback Calculated Property |
| Cp,gas | 376.66 | J/mol×K | 636.51 | Joback Calculated Property |
| Cp,gas | 386.63 | J/mol×K | 667.81 | Joback Calculated Property |
| Cp,gas | 396.04 | J/mol×K | 699.12 | Joback Calculated Property |
| Cp,liquid | 385.20 | J/mol×K | 313.55 | NIST |
| ΔvapH | [50.40; 52.10] | kJ/mol | [407.00; 438.50] |
|
| ΔvapH | 50.40 ± 0.10 | kJ/mol | 407.00 | NIST |
| ΔvapH | 52.10 | kJ/mol | 438.50 | NIST |
Similar Compounds
Find more compounds similar to 6-Octen-1-yn-3-ol, 3,7-dimethyl-.
Sources
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