- InChI
- InChI=1S/C9H16O6/c1-3-12-8(10)14-6-5-7-15-9(11)13-4-2/h3-7H2,1-2H3
- InChI Key
- OFOLPWWHUDBNSD-UHFFFAOYSA-N
- Formula
- C9H16O6
- SMILES
- CCOC(=O)OCCCOC(=O)OCC
- Molecular Weight1
- 220.22
- 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 | 0.7473 | Relay (1.0) Calculated Property | |
| ΔfG° | -805.84 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -1185.00 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 30.18 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 78.41 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 10.05 | eV | Relay (1.0) Calculated Property |
| log10WS | -1.78 | Relay (1.0) Calculated Property | |
| logPoct/wat | 1.723 | Crippen Calculated Property | |
| McVol | 164.290 | ml/mol | McGowan Calculated Property |
| Pc | 2254.67 | kPa | Joback Calculated Property |
| Inp | 1432.00 | NIST | |
| Tboil | 536.15 | K | Relay (1.0) Calculated Property |
| Tc | 657.97 | K | Relay (1.0) Calculated Property |
| Tfus | 239.27 | K | Relay (1.0) Calculated Property |
| Vc | 0.663 | m3/kmol | Relay (1.0) Calculated Property |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [259.89; 536.87] | 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 | 9.65250e+01 | |||
| Coefficient B | 6.22840e-01 | |||
| Coefficient C | -5.46000e-05 | |||
| Coefficient D | -1.27900e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 259.89 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 304.38 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 346.38 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 385.49 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 421.31 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 453.44 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 481.46 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 504.97 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 523.58 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 536.86 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0021684; 0.0001594] | Pa×s | [320.31; 519.38] |
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 | -1.29444e+01 | |||
| Coefficient B | 2.18150e+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. | 320.31 | |||
| Temperature range, max. | 519.38 | |||
| η | 0.0021684 | Pa×s | 320.31 | Calculated Property |
| η | 0.0013966 | Pa×s | 342.43 | Calculated Property |
| η | 0.0009489 | Pa×s | 364.55 | Calculated Property |
| η | 0.0006738 | Pa×s | 386.67 | Calculated Property |
| η | 0.0004965 | Pa×s | 408.79 | Calculated Property |
| η | 0.0003776 | Pa×s | 430.91 | Calculated Property |
| η | 0.0002949 | Pa×s | 453.03 | Calculated Property |
| η | 0.0002357 | Pa×s | 475.14 | Calculated Property |
| η | 0.0001921 | Pa×s | 497.26 | Calculated Property |
| η | 0.0001594 | Pa×s | 519.38 | Calculated Property |
Similar Compounds
Find more compounds similar to Diethyl propane-1,3-diyl dicarbonate.
Sources
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