- InChI
- InChI=1S/C9H18O2/c1-2-3-4-5-6-9-10-7-8-11-9/h9H,2-8H2,1H3
- InChI Key
- DDSSJDFXTAYRNO-UHFFFAOYSA-N
- Formula
- C9H18O2
- SMILES
- CCCCCCC1OCCO1
- Molecular Weight1
- 158.24
- CAS
- 1708-34-5
- Other Names
-
- Ethylene glycol acetal of heptaldehyde
- Heptaldehyde, ethylene glycol acetal
- Heptanal, cyclic ethylene acetal
- Heptanal, cyclic 1,2-ethanediyl acetal
- 2-n-Hexyl-1,3-dioxolane
- 2-Hexyl-1,3-dioxolane
- n-Heptanal ethyleneglycol 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).
- 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).
- Inp : Non-polar retention indices.
- I : 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 | 0.4717 | Relay (1.0) Calculated Property | |
| ΔfG° | -110.79 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -450.57 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 28.96 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 56.24 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.73 | eV | Relay (1.0) Calculated Property |
| log10WS | -2.53 | Relay (1.0) Calculated Property | |
| logPoct/wat | 2.330 | Crippen Calculated Property | |
| McVol | 138.550 | ml/mol | McGowan Calculated Property |
| Pc | 2712.67 | kPa | Joback Calculated Property |
| Inp | [1144.00; 1144.00] |
|
|
| Inp | 1144.00 | NIST | |
| Inp | 1144.00 | NIST | |
| Inp | 1144.00 | NIST | |
| I | 1460.00 | NIST | |
| Tboil | 469.00 ± 3.00 | K | NIST |
| Tc | 657.13 | K | Relay (1.0) Calculated Property |
| Tfus | 233.63 | K | Relay (1.0) Calculated Property |
| Vc | 0.547 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| ΔvapH | 55.00 | kJ/mol | 339.00 | NIST |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [197.90; 505.99] | 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 | -3.11350e+01 | |||
| Coefficient B | 9.84520e-01 | |||
| Coefficient C | -5.65400e-04 | |||
| Coefficient D | 1.18000e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 197.90 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 251.63 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 299.61 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 342.22 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 379.83 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 412.82 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 441.55 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 466.41 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 487.76 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 505.99 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0058718; 0.0003954] | Pa×s | [255.23; 466.01] |
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 | -1.11029e+01 | |||
| Coefficient B | 1.52252e+03 | |||
| Coefficient C | 0.00000e+00 | |||
| Coefficient D | 0.00000e+00 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 255.23 | |||
| Temperature range, max. | 466.01 | |||
| η | 0.0058718 | Pa×s | 255.23 | Calculated Property |
| η | 0.0035566 | Pa×s | 278.65 | Calculated Property |
| η | 0.0023284 | Pa×s | 302.07 | Calculated Property |
| η | 0.0016201 | Pa×s | 325.49 | Calculated Property |
| η | 0.0011836 | Pa×s | 348.91 | Calculated Property |
| η | 0.0008995 | Pa×s | 372.33 | Calculated Property |
| η | 0.0007061 | Pa×s | 395.75 | Calculated Property |
| η | 0.0005696 | Pa×s | 419.17 | Calculated Property |
| η | 0.0004700 | Pa×s | 442.59 | Calculated Property |
| η | 0.0003954 | Pa×s | 466.01 | Calculated Property |
Similar Compounds
Find more compounds similar to 1,3-Dioxolane, 2-hexyl-.
Sources
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