- InChI
- InChI=1S/C12H22O/c1-2-3-4-5-6-7-8-9-10-11-12-13/h13H,4-12H2,1H3
- InChI Key
- QRCAOSBZJICIEK-UHFFFAOYSA-N
- Formula
- C12H22O
- SMILES
- CC#CCCCCCCCCCO
- Molecular Weight1
- 182.31
- CAS
- ---
- 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).
- Pvap : Vapor pressure (kPa).
- 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 | 0.7428 | Relay (1.0) Calculated Property | |
| ΔfG° | 116.14 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -189.99 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 34.05 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 94.33 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.38 | eV | Relay (1.0) Calculated Property |
| log10WS | -3.43 | Relay (1.0) Calculated Property | |
| logPoct/wat | 3.123 | Crippen Calculated Property | |
| McVol | 177.210 | ml/mol | McGowan Calculated Property |
| Pc | 2229.20 | kPa | Joback Calculated Property |
| Tboil | 548.76 | K | Relay (1.0) Calculated Property |
| Tc | 755.42 | K | Relay (1.0) Calculated Property |
| Tfus | 311.37 | K | Relay (1.0) Calculated Property |
| Vc | 0.654 | m3/kmol | Relay (1.0) Calculated Property |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [255.65; 595.97] | J/mol×K | [273.00; 1000.00] |
Joback Predicted correlation
|
| Equation | Y = A + B·T + C·T² + D·T³ + E·T⁴ Y is Cp,gas in J/mol×K, T in K | |||
| Coefficient A | 1.48290e+01 | |||
| Coefficient B | 1.02802e+00 | |||
| Coefficient C | -5.67260e-04 | |||
| Coefficient D | 1.20380e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 255.65 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 312.85 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 364.32 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 410.43 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 451.57 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 488.11 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 520.44 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 548.94 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 573.99 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 595.97 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Pvap | [1.34; 203.57] | kPa | [434.15; 588.15] |
The Yaws Handbook of Vapor Pressure
|
| Equation | ln(Y) = A + B/(T + C) Y is Pvap in kPa, T in K | |||
| 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 10-Dodecyn-1-ol.
Sources
- Cheméo Relay (1.0)
- Crippen Method
- Crippen Method
- Joback Method
- McGowan Method
- NIST Webbook
- The Yaws Handbook of Vapor Pressure
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