- InChI
- InChI=1S/C10H22O2/c11-9-7-5-3-1-2-4-6-8-10-12/h11-12H,1-10H2
- InChI Key
- FOTKYAAJKYLFFN-UHFFFAOYSA-N
- Formula
- C10H22O2
- SMILES
- OCCCCCCCCCCO
- Molecular Weight1
- 174.28
- CAS
- 112-47-0
- Other Names
-
- 1,10-Decamethylene diol
- 1,10-Decamethylene glycol
- 1,10-Dihydroxydecane
- 1,6-Bis(2-hydroxyethyl)hexane
- Decamethylene glycol
- Decamethylenediol
- Decane-1,10-diol
- NSC 17165
- «alpha»,«omega»-Decanediol
- ω : Acentric Factor.
- ΔcH°solid : Standard solid enthalpy of combustion (kJ/mol).
- 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).
- ΔfH°solid : Solid phase 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).
- ΔsubH° : Enthalpy of sublimation 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).
- 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).
- Ttriple : Triple Point Temperature (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 | 0.9285 | Relay (1.0) Calculated Property | |
| ΔcH°solid | [-6400.30; -6386.00] | kJ/mol |
|
| ΔcH°solid | -6400.30 ± 2.20 | kJ/mol | NIST |
| ΔcH°solid | -6386.00 ± 3.00 | kJ/mol | NIST |
| ΔfG° | -240.32 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | [-537.80; -523.10] | kJ/mol |
|
| ΔfH°gas | -523.10 ± 2.50 | kJ/mol | NIST |
| ΔfH°gas | -537.80 | kJ/mol | NIST |
| ΔfH°solid | [-693.58; -678.90] | kJ/mol |
|
| ΔfH°solid | -678.90 ± 2.30 | kJ/mol | NIST |
| ΔfH°solid | -693.58 | kJ/mol | NIST |
| ΔfusH° | 44.96 | kJ/mol | Measurement of enthalpy curves of phase change materials via DSC and T-History: When are both methods needed to estimate the behaviour of the bulk material in applications? |
| ΔsubH° | [155.80; 155.80] | kJ/mol |
|
| ΔsubH° | 155.80 ± 0.90 | kJ/mol | NIST |
| ΔsubH° | 155.80 | kJ/mol | NIST |
| ΔsubH° | 155.80 ± 0.90 | kJ/mol | NIST |
| ΔsubH° | 155.80 ± 0.90 | kJ/mol | NIST |
| ΔsubH° | 155.80 | kJ/mol | NIST |
| ΔsubH° | 155.80 ± 0.90 | kJ/mol | NIST |
| ΔvapH° | [113.70; 126.60] | kJ/mol |
|
| ΔvapH° | 126.60 ± 4.20 | kJ/mol | NIST |
| ΔvapH° | 120.40 ± 4.90 | kJ/mol | NIST |
| ΔvapH° | 113.70 ± 2.10 | kJ/mol | NIST |
| ΔvapH° | 113.70 ± 2.10 | kJ/mol | NIST |
| IE | 9.81 | eV | Relay (1.0) Calculated Property |
| log10WS | -2.96 | Relay (1.0) Calculated Property | |
| logPoct/wat | 2.092 | Crippen Calculated Property | |
| McVol | 163.500 | ml/mol | McGowan Calculated Property |
| Pc | 2515.07 | kPa | Joback Calculated Property |
| Inp | [1518.00; 1518.00] |
|
|
| Inp | 1518.00 | NIST | |
| Inp | 1518.00 | NIST | |
| Tboil | 565.54 | K | Relay (1.0) Calculated Property |
| Tc | 770.00 | K | Critical temperatures and pressures of straight-chain alkanediols (C3 to C12) |
| Tfus | [343.30; 346.15] | K |
|
| Tfus | 345.80 | 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 | 346.15 | K | Jean-Claude Bradley Open Melting Point Dataset (2014, CC0) Compiled value |
| Tfus | 345.70 ± 0.20 | K | NIST |
| Tfus | 345.80 ± 1.00 | K | NIST |
| Tfus | 344.15 ± 2.00 | K | NIST |
| Tfus | 343.30 ± 0.30 | K | NIST |
| Tfus | 345.40 ± 1.00 | K | NIST |
| Ttriple | [345.40; 345.40] | K |
|
| Ttriple | 345.40 ± 0.10 | K | NIST |
| Ttriple | 345.40 ± 0.10 | K | NIST |
| Vc | 0.631 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| ΔfusH | [41.70; 41.70] | kJ/mol | [345.50; 345.50] |
|
| ΔfusH | 41.70 | kJ/mol | 345.50 | NIST |
| ΔfusH | 41.70 | kJ/mol | 345.50 | NIST |
| ΔvapH | [112.40; 120.00] | kJ/mol | [298.15; 364.00] |
|
| ΔvapH | 120.00 | kJ/mol | 298.15 | Vaporization Enthalpies of the r,o-Alkanediols by Correlation Gas Chromatography |
| ΔvapH | 112.40 | kJ/mol | 364.00 | NIST |
Pressure Dependent Properties
| Property | Value | Unit | Pressure (kPa) | Source |
|---|---|---|---|---|
| Tboilr | [443.00; 443.20] | K | [1.00; 1.00] |
|
| Tboilr | 443.20 | K | 1.00 | NIST |
| Tboilr | 443.00 | K | 1.00 | NIST |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [242.62; 572.58] | 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 | 4.38000e+00 | |||
| Coefficient B | 1.02180e+00 | |||
| Coefficient C | -5.81000e-04 | |||
| Coefficient D | 1.27400e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 242.62 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 298.79 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 349.15 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 394.09 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 434.02 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 469.33 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 500.45 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 527.76 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 551.67 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 572.58 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0105157; 0.0000793] | Pa×s | [345.19; 539.00] |
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 | -1.81453e+01 | |||
| Coefficient B | 4.69122e+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. | 345.19 | |||
| Temperature range, max. | 539.00 | |||
| η | 0.0105157 | Pa×s | 345.19 | Calculated Property |
| η | 0.0047341 | Pa×s | 366.72 | Calculated Property |
| η | 0.0023286 | Pa×s | 388.26 | Calculated Property |
| η | 0.0012340 | Pa×s | 409.79 | Calculated Property |
| η | 0.0006968 | Pa×s | 431.33 | Calculated Property |
| η | 0.0004154 | Pa×s | 452.86 | Calculated Property |
| η | 0.0002596 | Pa×s | 474.40 | Calculated Property |
| η | 0.0001690 | Pa×s | 495.93 | Calculated Property |
| η | 0.0001140 | Pa×s | 517.47 | Calculated Property |
| η | 0.0000793 | Pa×s | 539.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Pvap | [1.33; 202.65] | kPa | [446.20; 555.20] |
The Yaws Handbook of Vapor Pressure
|
| Equation | ln(Y) = A + B/(T + C) Y is Pvap in kPa, T in K | |||
| Coefficient A | 2.12348e+01 | |||
| Coefficient B | -7.23679e+03 | |||
| Coefficient C | -1.00722e+02 | |||
| Temperature range, min. | 446.20 | |||
| Temperature range, max. | 555.20 | |||
| Pvap | 1.33 | kPa | 446.20 | Calculated Property |
| Pvap | 2.71 | kPa | 458.31 | Calculated Property |
| Pvap | 5.26 | kPa | 470.42 | Calculated Property |
| Pvap | 9.79 | kPa | 482.53 | Calculated Property |
| Pvap | 17.53 | kPa | 494.64 | Calculated Property |
| Pvap | 30.32 | kPa | 506.76 | Calculated Property |
| Pvap | 50.80 | kPa | 518.87 | Calculated Property |
| Pvap | 82.69 | kPa | 530.98 | Calculated Property |
| Pvap | 131.04 | kPa | 543.09 | Calculated Property |
| Pvap | 202.65 | kPa | 555.20 | Calculated Property |
Similar Compounds
Find more compounds similar to 1,10-Decanediol.
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
- Measurement of enthalpy curves of phase change materials via DSC and T-History: When are both methods needed to estimate the behaviour of the bulk material in applications?
- 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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