- InChI
- InChI=1S/C13H26O2/c1-3-4-5-6-7-8-9-10-11-15-12-13(2)14/h3-12H2,1-2H3
- InChI Key
- PDSUFQNVGVMEFQ-UHFFFAOYSA-N
- Formula
- C13H26O2
- SMILES
- CCCCCCCCCCOCC(C)=O
- Molecular Weight1
- 214.35
- 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).
- Ip : 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 | 0.7170 | Relay (1.0) Calculated Property | |
| ΔfG° | -175.34 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -559.32 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 32.21 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 72.12 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.26 | eV | Relay (1.0) Calculated Property |
| log10WS | -4.00 | Relay (1.0) Calculated Property | |
| logPoct/wat | 3.733 | Crippen Calculated Property | |
| McVol | 201.470 | ml/mol | McGowan Calculated Property |
| Pc | 1707.53 | kPa | Joback Calculated Property |
| Ip | [1904.00; 1904.00] |
|
|
| Ip | 1904.00 | NIST | |
| Ip | 1904.00 | NIST | |
| Tboil | 547.42 | K | Relay (1.0) Calculated Property |
| Tc | 729.26 | K | Relay (1.0) Calculated Property |
| Tfus | 284.27 | K | Relay (1.0) Calculated Property |
| Vc | 0.772 | m3/kmol | Relay (1.0) Calculated Property |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [297.59; 697.53] | 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 | 2.39300e+01 | |||
| Coefficient B | 1.14764e+00 | |||
| Coefficient C | -5.53700e-04 | |||
| Coefficient D | 7.96600e-08 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 297.59 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 364.17 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 424.62 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 479.20 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 528.17 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 571.77 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 610.25 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 643.87 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 672.88 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 697.53 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0029408; 0.0002398] | Pa×s | [308.43; 519.53] |
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 | -1.19984e+01 | |||
| Coefficient B | 1.90280e+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. | 308.43 | |||
| Temperature range, max. | 519.53 | |||
| η | 0.0029408 | Pa×s | 308.43 | Calculated Property |
| η | 0.0019016 | Pa×s | 331.89 | Calculated Property |
| η | 0.0013024 | Pa×s | 355.34 | Calculated Property |
| η | 0.0009349 | Pa×s | 378.80 | Calculated Property |
| η | 0.0006975 | Pa×s | 402.25 | Calculated Property |
| η | 0.0005375 | Pa×s | 425.71 | Calculated Property |
| η | 0.0004256 | Pa×s | 449.16 | Calculated Property |
| η | 0.0003449 | Pa×s | 472.62 | Calculated Property |
| η | 0.0002851 | Pa×s | 496.07 | Calculated Property |
| η | 0.0002398 | Pa×s | 519.53 | Calculated Property |
Similar Compounds
Find more compounds similar to Acetonyl decyl ether.
Sources
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