- InChI
- InChI=1S/C12H22O/c1-2-3-4-5-6-7-8-9-10-11-12-13/h13H,2,5-12H2,1H3
- InChI Key
- MIDXCKJJIFQOLT-UHFFFAOYSA-N
- Formula
- C12H22O
- SMILES
- CCC#CCCCCCCCCO
- Molecular Weight1
- 182.30
- CAS
- 71084-08-7
- 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).
- Pvap : Vapor 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° | 116.14 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -170.94 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 34.05 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 61.14 | kJ/mol | Joback Calculated Property |
| log10WS | -3.90 | Crippen Calculated Property | |
| logPoct/wat | 3.123 | Crippen Calculated Property | |
| McVol | 177.210 | ml/mol | McGowan Calculated Property |
| Pc | 2229.20 | kPa | Joback Calculated Property |
| Inp | [1543.00; 1543.00] |
|
|
| Inp | 1543.00 | NIST | |
| Inp | 1543.00 | NIST | |
| Tboil | 575.14 | K | Joback Calculated Property |
| Tc | 748.57 | K | Joback Calculated Property |
| Tfus | 391.92 | K | Joback Calculated Property |
| Vc | 0.689 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [441.34; 517.00] | J/mol×K | [575.14; 748.57] |
|
| Cp,gas | 441.34 | J/mol×K | 575.14 | Joback Calculated Property |
| Cp,gas | 455.35 | J/mol×K | 604.05 | Joback Calculated Property |
| Cp,gas | 468.78 | J/mol×K | 632.95 | Joback Calculated Property |
| Cp,gas | 481.64 | J/mol×K | 661.86 | Joback Calculated Property |
| Cp,gas | 493.95 | J/mol×K | 690.76 | Joback Calculated Property |
| Cp,gas | 505.73 | J/mol×K | 719.67 | Joback Calculated Property |
| Cp,gas | 517.00 | J/mol×K | 748.57 | Joback Calculated Property |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Pvap | [1.34; 203.57] | kPa | [434.15; 588.15] |
The Yaw...
|
| Equation | ln(Pvp) = A + B/(T + C) | |||
| Coefficient A | 1.63353e+01 | |||
| Coefficient B | -5.41743e+03 | |||
| Coefficient C | -9.65180e+01 | |||
| Temperature range, min. | 434.15 | |||
| Temperature range, max. | 588.15 | |||
| Pvap | 1.34 | kPa | 434.15 | Calculated Property |
| Pvap | 2.90 | kPa | 451.26 | Calculated Property |
| Pvap | 5.85 | kPa | 468.37 | Calculated Property |
| Pvap | 11.11 | kPa | 485.48 | Calculated Property |
| Pvap | 19.97 | kPa | 502.59 | Calculated Property |
| Pvap | 34.25 | kPa | 519.71 | Calculated Property |
| Pvap | 56.33 | kPa | 536.82 | Calculated Property |
| Pvap | 89.26 | kPa | 553.93 | Calculated Property |
| Pvap | 136.82 | kPa | 571.04 | Calculated Property |
| Pvap | 203.57 | kPa | 588.15 | Calculated Property |
Similar Compounds
Find more compounds similar to 9-Dodecyn-1-ol.
Sources
- Crippen Method
- Crippen Method
- Joback Method
- McGowan Method
- NIST Webbook
- The Yaws Handbook of Vapor Pressure
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