- InChI
- InChI=1S/C13H26O3/c1-4-6-7-8-9-10-11-12(3)16-13(14)15-5-2/h12H,4-11H2,1-3H3
- InChI Key
- FCVPQVAPQCTDDB-UHFFFAOYSA-N
- Formula
- C13H26O3
- SMILES
- CCCCCCCCC(C)OC(=O)OCC
- Molecular Weight1
- 230.35
- 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 | 0.7300 | Relay (1.0) Calculated Property | |
| ΔfG° | -359.23 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -820.98 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 31.46 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 80.40 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.76 | eV | Relay (1.0) Calculated Property |
| log10WS | -4.52 | Relay (1.0) Calculated Property | |
| logPoct/wat | 4.299 | Crippen Calculated Property | |
| McVol | 207.340 | ml/mol | McGowan Calculated Property |
| Pc | 1639.10 | kPa | Joback Calculated Property |
| Inp | [1490.00; 1490.00] |
|
|
| Inp | 1490.00 | NIST | |
| Inp | 1490.00 | NIST | |
| Tboil | 515.72 | K | Relay (1.0) Calculated Property |
| Tc | 672.90 | K | Relay (1.0) Calculated Property |
| Tfus | 226.63 | K | Relay (1.0) Calculated Property |
| Vc | 0.805 | m3/kmol | Relay (1.0) Calculated Property |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [312.69; 717.16] | 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 | 4.02980e+01 | |||
| Coefficient B | 1.12676e+00 | |||
| Coefficient C | -4.81000e-04 | |||
| Coefficient D | 3.11000e-08 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 312.69 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 380.10 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 441.66 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 497.47 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 547.64 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 592.25 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 631.41 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 665.22 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 693.77 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 717.16 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0045856; 0.0001690] | Pa×s | [285.83; 522.28] |
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 | -1.26764e+01 | |||
| Coefficient B | 2.08415e+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. | 285.83 | |||
| Temperature range, max. | 522.28 | |||
| η | 0.0045856 | Pa×s | 285.83 | Calculated Property |
| η | 0.0024822 | Pa×s | 312.10 | Calculated Property |
| η | 0.0014780 | Pa×s | 338.37 | Calculated Property |
| η | 0.0009483 | Pa×s | 364.65 | Calculated Property |
| η | 0.0006458 | Pa×s | 390.92 | Calculated Property |
| η | 0.0004616 | Pa×s | 417.19 | Calculated Property |
| η | 0.0003434 | Pa×s | 443.46 | Calculated Property |
| η | 0.0002640 | Pa×s | 469.73 | Calculated Property |
| η | 0.0002087 | Pa×s | 496.00 | Calculated Property |
| η | 0.0001690 | Pa×s | 522.28 | Calculated Property |
Similar Compounds
Find more compounds similar to Decan-2-yl ethyl carbonate.
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