- InChI
- InChI=1S/C9H20O/c1-3-5-6-7-8-9-10-4-2/h3-9H2,1-2H3
- InChI Key
- UTBWZYCUAYXAKT-UHFFFAOYSA-N
- Formula
- C9H20O
- SMILES
- CCCCCCCOCC
- Molecular Weight1
- 144.25
- CAS
- 1969-43-3
- Other Names
-
- Ether, ethyl heptyl
- Ethyl heptyl ether
- 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).
- 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 | 0.5095 | Relay (1.0) Calculated Property | |
| ΔfG° | -80.10 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -362.16 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 20.25 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 51.33 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.34 | eV | Relay (1.0) Calculated Property |
| log10WS | -3.17 | Relay (1.0) Calculated Property | |
| logPoct/wat | 2.993 | Crippen Calculated Property | |
| McVol | 143.540 | ml/mol | McGowan Calculated Property |
| Pc | 2269.73 | kPa | Joback Calculated Property |
| Tboil | 432.05 | K | Relay (1.0) Calculated Property |
| Tc | 607.42 | K | Relay (1.0) Calculated Property |
| Tfus | 204.85 ± 0.40 | K | NIST |
| Vc | 0.562 | m3/kmol | Relay (1.0) Calculated Property |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [211.81; 502.15] | 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 | 2.02070e+01 | |||
| Coefficient B | 7.95640e-01 | |||
| Coefficient C | -3.54800e-04 | |||
| Coefficient D | 4.11000e-08 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 211.81 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 259.10 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 302.33 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 341.63 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 377.13 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 408.95 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 437.24 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 462.11 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 483.70 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 502.15 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0055217; 0.0002351] | Pa×s | [204.85; 413.95] |
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 | -1.14474e+01 | |||
| Coefficient B | 1.27997e+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. | 204.85 | |||
| Temperature range, max. | 413.95 | |||
| η | 0.0055217 | Pa×s | 204.85 | Calculated Property |
| η | 0.0029218 | Pa×s | 228.08 | Calculated Property |
| η | 0.0017392 | Pa×s | 251.32 | Calculated Property |
| η | 0.0011302 | Pa×s | 274.55 | Calculated Property |
| η | 0.0007856 | Pa×s | 297.78 | Calculated Property |
| η | 0.0005756 | Pa×s | 321.02 | Calculated Property |
| η | 0.0004398 | Pa×s | 344.25 | Calculated Property |
| η | 0.0003476 | Pa×s | 367.48 | Calculated Property |
| η | 0.0002826 | Pa×s | 390.72 | Calculated Property |
| η | 0.0002351 | Pa×s | 413.95 | Calculated Property |
Similar Compounds
Find more compounds similar to Heptane, 1-ethoxy-.
Sources
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