- InChI
- InChI=1S/C10H22O2/c1-4-7-8-9-10(11-5-2)12-6-3/h10H,4-9H2,1-3H3
- InChI Key
- WNHOMUCDFNTSEV-UHFFFAOYSA-N
- Formula
- C10H22O2
- SMILES
- CCCCCC(OCC)OCC
- Molecular Weight1
- 174.28
- Other Names
-
- Hexanal, diethyl acetal
- 1,1-Diethoxyhexane
- n-Hexanal diethyl acetal
- 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 | 0.5260 | Relay (1.0) Calculated Property | |
| ΔfG° | -179.12 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -539.02 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 20.51 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 55.52 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.41 | eV | Relay (1.0) Calculated Property |
| log10WS | -2.49 | Relay (1.0) Calculated Property | |
| logPoct/wat | 2.966 | Crippen Calculated Property | |
| McVol | 163.500 | ml/mol | McGowan Calculated Property |
| Pc | 2058.62 | kPa | Joback Calculated Property |
| Inp | [1080.00; 1092.00] |
|
|
| Inp | 1087.90 | NIST | |
| Inp | 1092.00 | NIST | |
| Inp | 1092.00 | NIST | |
| Inp | 1085.00 | NIST | |
| Inp | 1092.00 | NIST | |
| Inp | 1080.00 | NIST | |
| Inp | 1082.00 | NIST | |
| Ip | [1223.00; 1250.00] |
|
|
| Ip | 1235.00 | NIST | |
| Ip | 1230.00 | NIST | |
| Ip | 1242.00 | NIST | |
| Ip | 1238.00 | NIST | |
| Ip | 1230.00 | NIST | |
| Ip | 1227.00 | NIST | |
| Ip | 1229.00 | NIST | |
| Ip | 1227.00 | NIST | |
| Ip | 1229.00 | NIST | |
| Ip | 1235.00 | NIST | |
| Ip | Outlier 1250.00 | NIST | |
| Ip | 1232.00 | NIST | |
| Ip | 1223.00 | NIST | |
| Ip | 1228.00 | NIST | |
| Ip | 1230.00 | NIST | |
| Ip | 1242.00 | NIST | |
| Ip | 1227.00 | NIST | |
| Ip | 1235.00 | NIST | |
| Tboil | 450.99 | K | Relay (1.0) Calculated Property |
| Tc | 613.82 | K | Relay (1.0) Calculated Property |
| Tfus | 190.89 | K | Relay (1.0) Calculated Property |
| Vc | 0.625 | m3/kmol | Relay (1.0) Calculated Property |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [248.11; 572.78] | 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 | 4.31160e+01 | |||
| Coefficient B | 8.33360e-01 | |||
| Coefficient C | -3.01400e-04 | |||
| Coefficient D | -2.30000e-09 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 248.11 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 300.12 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 348.15 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 392.22 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 432.30 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 468.40 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 500.50 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 528.61 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 552.70 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 572.78 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0046878; 0.0001942] | Pa×s | [231.92; 447.13] |
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 | -1.19773e+01 | |||
| Coefficient B | 1.53404e+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. | 231.92 | |||
| Temperature range, max. | 447.13 | |||
| η | 0.0046878 | Pa×s | 231.92 | Calculated Property |
| η | 0.0025262 | Pa×s | 255.83 | Calculated Property |
| η | 0.0015131 | Pa×s | 279.74 | Calculated Property |
| η | 0.0009825 | Pa×s | 303.66 | Calculated Property |
| η | 0.0006795 | Pa×s | 327.57 | Calculated Property |
| η | 0.0004941 | Pa×s | 351.48 | Calculated Property |
| η | 0.0003742 | Pa×s | 375.39 | Calculated Property |
| η | 0.0002929 | Pa×s | 399.31 | Calculated Property |
| η | 0.0002358 | Pa×s | 423.22 | Calculated Property |
| η | 0.0001942 | Pa×s | 447.13 | Calculated Property |
Similar Compounds
Find more compounds similar to Hexane, 1,1-diethoxy-.
Sources
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