- InChI
- InChI=1S/C15H24O/c1-6-15(5,16)12-8-11-14(4)10-7-9-13(2)3/h1,9,11,16H,7-8,10,12H2,2-5H3/b14-11+
- InChI Key
- ZNVPGYAGXVEAFP-SDNWHVSQSA-N
- Formula
- C15H24O
- SMILES
- C#CC(C)(O)CCC=C(C)CCC=C(C)C
- Molecular Weight1
- 220.35
- CAS
- 2387-68-0
- Other Names
-
- Deca-4,8-dienol, 1-ethynyl-1,5,9-trimethyl-
- 3,7,11-trimethyldodeca-6,10-dien-1-yn-3-ol
- Dehydronerolidol
- ω : Acentric Factor.
- 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).
- 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.
- 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 | 0.6029 | Relay (1.0) Calculated Property | |
| ΔfG° | 307.85 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -132.55 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 32.04 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 84.93 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.68 | eV | Relay (1.0) Calculated Property |
| log10WS | -3.79 | Relay (1.0) Calculated Property | |
| logPoct/wat | 3.843 | Crippen Calculated Property | |
| McVol | 210.880 | ml/mol | McGowan Calculated Property |
| Pc | 1915.26 | kPa | Joback Calculated Property |
| Inp | 1562.00 | NIST | |
| Tboil | 542.75 | K | Relay (1.0) Calculated Property |
| Tc | 718.76 | K | Relay (1.0) Calculated Property |
| Tfus | 285.91 | K | Relay (1.0) Calculated Property |
| Vc | 0.731 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [552.82; 633.58] | J/mol×K | [629.75; 817.61] | 
|
| Cp,gas | 552.82 | J/mol×K | 629.75 | Joback Calculated Property |
| Cp,gas | 568.20 | J/mol×K | 661.06 | Joback Calculated Property |
| Cp,gas | 582.72 | J/mol×K | 692.37 | Joback Calculated Property |
| Cp,gas | 596.45 | J/mol×K | 723.68 | Joback Calculated Property |
| Cp,gas | 609.46 | J/mol×K | 754.99 | Joback Calculated Property |
| Cp,gas | 621.81 | J/mol×K | 786.30 | Joback Calculated Property |
| Cp,gas | 633.58 | J/mol×K | 817.61 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 6,10-Dodecadien-1-yn-3-ol, 3,7,11-trimethyl-.
Sources
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