- InChI
- InChI=1S/C11H22O3/c1-4-6-7-8-9-10(3)14-11(12)13-5-2/h10H,4-9H2,1-3H3
- InChI Key
- MOJYDCHARQQDEP-UHFFFAOYSA-N
- Formula
- C11H22O3
- SMILES
- CCCCCCC(C)OC(=O)OCC
- Molecular Weight1
- 202.29
- 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.
- 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 | 0.6558 | Relay (1.0) Calculated Property | |
| ΔfG° | -376.07 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -780.44 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 26.28 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 71.83 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.85 | eV | Relay (1.0) Calculated Property |
| log10WS | -3.74 | Relay (1.0) Calculated Property | |
| logPoct/wat | 3.518 | Crippen Calculated Property | |
| McVol | 179.160 | ml/mol | McGowan Calculated Property |
| Pc | 1927.05 | kPa | Joback Calculated Property |
| Inp | [1296.00; 1296.00] |
|
|
| Inp | 1296.00 | NIST | |
| Inp | 1296.00 | NIST | |
| Tboil | 484.26 | K | Relay (1.0) Calculated Property |
| Tc | 642.54 | K | Relay (1.0) Calculated Property |
| Tfus | 211.54 | K | Relay (1.0) Calculated Property |
| Vc | 0.694 | m3/kmol | Relay (1.0) Calculated Property |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [270.26; 613.98] | 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 | 4.21160e+01 | |||
| Coefficient B | 9.36760e-01 | |||
| Coefficient C | -3.72200e-04 | |||
| Coefficient D | 7.30000e-09 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 270.26 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 327.26 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 379.50 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 427.01 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 469.81 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 507.93 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 541.38 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 570.19 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 594.38 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 613.98 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0054740; 0.0001929] | Pa×s | [263.29; 491.76] |
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 | -1.24083e+01 | |||
| Coefficient B | 1.89583e+03 | |||
| Coefficient C | 0.00000e+00 | |||
| Coefficient D | 0.00000e+00 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 263.29 | |||
| Temperature range, max. | 491.76 | |||
| η | 0.0054740 | Pa×s | 263.29 | Calculated Property |
| η | 0.0029061 | Pa×s | 288.68 | Calculated Property |
| η | 0.0017091 | Pa×s | 314.06 | Calculated Property |
| η | 0.0010882 | Pa×s | 339.45 | Calculated Property |
| η | 0.0007378 | Pa×s | 364.83 | Calculated Property |
| η | 0.0005262 | Pa×s | 390.22 | Calculated Property |
| η | 0.0003911 | Pa×s | 415.60 | Calculated Property |
| η | 0.0003007 | Pa×s | 440.99 | Calculated Property |
| η | 0.0002380 | Pa×s | 466.38 | Calculated Property |
| η | 0.0001929 | Pa×s | 491.76 | Calculated Property |
Similar Compounds
Find more compounds similar to Ethyl octan-2-yl carbonate.
Sources
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