- InChI
- InChI=1S/C15H32O2/c1-4-7-8-9-10-11-12-13-14-15(16-5-2)17-6-3/h15H,4-14H2,1-3H3
- InChI Key
- ZQNOIYUMSNPIGA-UHFFFAOYSA-N
- Formula
- C15H32O2
- SMILES
- CCCCCCCCCCC(OCC)OCC
- Molecular Weight1
- 244.41
- CAS
- 53405-97-3
- Other Names
-
- 1,1-diethoxyundecane
- 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).
- 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.
- Ip : 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 | 0.7119 | Relay (1.0) Calculated Property | |
| ΔfG° | -137.02 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -637.53 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 33.46 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 76.25 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.41 | eV | Relay (1.0) Calculated Property |
| log10WS | -4.98 | Relay (1.0) Calculated Property | |
| logPoct/wat | 4.916 | Crippen Calculated Property | |
| McVol | 233.950 | ml/mol | McGowan Calculated Property |
| Pc | 1388.15 | kPa | Joback Calculated Property |
| Inp | 1572.00 | NIST | |
| Ip | [1712.00; 1726.00] |
|
|
| Ip | 1726.00 | NIST | |
| Ip | 1712.00 | NIST | |
| Ip | 1712.00 | NIST | |
| Tboil | 536.83 | K | Relay (1.0) Calculated Property |
| Tc | 691.68 | K | Relay (1.0) Calculated Property |
| Tfus | 230.22 | K | Relay (1.0) Calculated Property |
| Vc | 0.907 | m3/kmol | Relay (1.0) Calculated Property |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [354.18; 830.73] | 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 | 3.85710e+01 | |||
| Coefficient B | 1.30836e+00 | |||
| Coefficient C | -5.73400e-04 | |||
| Coefficient D | 5.72000e-08 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 354.18 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 432.21 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 503.54 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 568.36 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 626.86 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 679.21 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 725.59 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 766.18 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 801.17 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 830.73 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0034157; 0.0001489] | Pa×s | [288.27; 524.57] |
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 | -1.26341e+01 | |||
| Coefficient B | 2.00484e+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. | 288.27 | |||
| Temperature range, max. | 524.57 | |||
| η | 0.0034157 | Pa×s | 288.27 | Calculated Property |
| η | 0.0019113 | Pa×s | 314.53 | Calculated Property |
| η | 0.0011697 | Pa×s | 340.78 | Calculated Property |
| η | 0.0007679 | Pa×s | 367.04 | Calculated Property |
| η | 0.0005332 | Pa×s | 393.29 | Calculated Property |
| η | 0.0003876 | Pa×s | 419.55 | Calculated Property |
| η | 0.0002925 | Pa×s | 445.80 | Calculated Property |
| η | 0.0002278 | Pa×s | 472.06 | Calculated Property |
| η | 0.0001821 | Pa×s | 498.32 | Calculated Property |
| η | 0.0001489 | Pa×s | 524.57 | Calculated Property |
Similar Compounds
Find more compounds similar to Undecane, 1,1-diethoxy.
Sources
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