- InChI
- InChI=1S/C12H26O2/c13-11-9-7-5-3-1-2-4-6-8-10-12-14/h13-14H,1-12H2
- InChI Key
- GHLKSLMMWAKNBM-UHFFFAOYSA-N
- Formula
- C12H26O2
- SMILES
- OCCCCCCCCCCCCO
- Molecular Weight1
- 202.34
- CAS
- 5675-51-4
- Other Names
-
- 1,12-dihydroxydodecane
- Dodecamethylene glycol
- dodecane-1,12-diol
- n-dodecane-1,12-diol
- ω : Acentric Factor.
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- η : Dynamic viscosity (Pa×s).
- 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).
- ΔfusH : Enthalpy of fusion at a given temperature (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).
- Pvap : Vapor pressure (kPa).
- Inp : Non-polar retention indices.
- Tboil : Normal Boiling Point Temperature (K).
- Tboilr : Boiling point at reduced pressure (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 | 1.0002 | Relay (1.0) Calculated Property | |
| ΔfG° | -223.48 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -576.86 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 35.01 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 124.24 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.86 | eV | Relay (1.0) Calculated Property |
| log10WS | -3.94 | Relay (1.0) Calculated Property | |
| logPoct/wat | 2.872 | Crippen Calculated Property | |
| McVol | 191.680 | ml/mol | McGowan Calculated Property |
| Pc | 2092.66 | kPa | Joback Calculated Property |
| Inp | [1725.00; 1728.00] |
|
|
| Inp | 1728.00 | NIST | |
| Inp | 1725.00 | NIST | |
| Inp | 1725.00 | NIST | |
| Tboil | 581.21 | K | Relay (1.0) Calculated Property |
| Tc | 798.00 | K | Critical temperatures and pressures of straight-chain alkanediols (C3 to C12) |
| Tfus | [352.90; 355.30] | K |
|
| Tfus | 352.90 | K | Thermodynamics of fusion and sublimation for a homologous series of eleven alkane-.alpha.,.omega.-diols HO-(CH2)n-OH: Structure-related odd even effect |
| Tfus | 355.30 | K | Jean-Claude Bradley Open Melting Point Dataset (2014, CC0) Compiled value |
| Vc | 0.744 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| ΔfusH | 51.20 | kJ/mol | 352.00 | NIST |
| ΔvapH | 135.00 | kJ/mol | 298.15 | Vaporization Enthalpies of the r,o-Alkanediols by Correlation Gas Chromatography |
Pressure Dependent Properties
| Property | Value | Unit | Pressure (kPa) | Source |
|---|---|---|---|---|
| Tboilr | 462.20 | K | 1.60 | NIST |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [285.05; 675.76] | 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 | 2.56200e+00 | |||
| Coefficient B | 1.21180e+00 | |||
| Coefficient C | -6.89800e-04 | |||
| Coefficient D | 1.51200e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 285.05 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 351.63 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 411.30 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 464.55 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 511.84 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 553.66 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 590.48 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 622.79 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 651.05 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 675.76 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0099127; 0.0000639] | Pa×s | [354.10; 558.60] |
Joback Predicted correlation
|
| Equation | Y = exp(A + B/T + C·ln(T) + D·T^E) Y is η in Pa×s, T in K | |||
| Coefficient A | -1.83941e+01 | |||
| Coefficient B | 4.87954e+03 | |||
| Coefficient C | 0.00000e+00 | |||
| Coefficient D | 0.00000e+00 | |||
| Coefficient E | 0.00000e+00 | |||
| Comment | Liquid phase. Joback/Reid (1987), valid from Tf to 0.7·Tc. | |||
| Temperature range, min. | 354.10 | |||
| Temperature range, max. | 558.60 | |||
| η | 0.0099127 | Pa×s | 354.10 | Calculated Property |
| η | 0.0043184 | Pa×s | 376.82 | Calculated Property |
| η | 0.0020677 | Pa×s | 399.54 | Calculated Property |
| η | 0.0010717 | Pa×s | 422.27 | Calculated Property |
| η | 0.0005941 | Pa×s | 444.99 | Calculated Property |
| η | 0.0003487 | Pa×s | 467.71 | Calculated Property |
| η | 0.0002151 | Pa×s | 490.43 | Calculated Property |
| η | 0.0001384 | Pa×s | 513.16 | Calculated Property |
| η | 0.0000925 | Pa×s | 535.88 | Calculated Property |
| η | 0.0000639 | Pa×s | 558.60 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Pvap | [1.33; 202.64] | kPa | [467.12; 571.30] |
The Yaws Handbook of Vapor Pressure
|
| Equation | ln(Y) = A + B/(T + C) Y is Pvap in kPa, T in K | |||
| Coefficient A | 2.26296e+01 | |||
| Coefficient B | -8.02364e+03 | |||
| Coefficient C | -1.07992e+02 | |||
| Temperature range, min. | 467.12 | |||
| Temperature range, max. | 571.30 | |||
| Pvap | 1.33 | kPa | 467.12 | Calculated Property |
| Pvap | 2.68 | kPa | 478.70 | Calculated Property |
| Pvap | 5.16 | kPa | 490.27 | Calculated Property |
| Pvap | 9.56 | kPa | 501.85 | Calculated Property |
| Pvap | 17.10 | kPa | 513.42 | Calculated Property |
| Pvap | 29.62 | kPa | 525.00 | Calculated Property |
| Pvap | 49.81 | kPa | 536.57 | Calculated Property |
| Pvap | 81.50 | kPa | 548.15 | Calculated Property |
| Pvap | 130.02 | kPa | 559.72 | Calculated Property |
| Pvap | 202.64 | kPa | 571.30 | Calculated Property |
Similar Compounds
Find more compounds similar to 1,12-Dodecanediol.
Sources
- Jean-Claude Bradley Open Melting Point Dataset (2014, CC0) ChEDL chemicals 1.5.2, from Bradley, J.-C.; Williams, A.; Lang, A. Jean-Claude Bradley Open Melting Point Dataset. Figshare, 2014 (CC0).
- Cheméo Relay (1.0)
- Crippen Method
- Crippen Method
- Critical temperatures and pressures of straight-chain alkanediols (C3 to C12)
- Thermodynamics of fusion and sublimation for a homologous series of eleven alkane-.alpha.,.omega.-diols HO-(CH2)n-OH: Structure-related odd even effect
- Vaporization Enthalpies of the r,o-Alkanediols by Correlation Gas Chromatography
- Joback Method
- McGowan Method
- NIST Webbook
- The Yaws Handbook of Vapor Pressure
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