- InChI
- InChI=1S/C13H28O2/c1-4-5-6-7-8-9-10-11-12-13(14-2)15-3/h13H,4-12H2,1-3H3
- InChI Key
- FBJUQTUWWCVIDH-UHFFFAOYSA-N
- Formula
- C13H28O2
- SMILES
- CCCCCCCCCCC(OC)OC
- Molecular Weight1
- 216.37
- 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.
- 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 | 0.6439 | Relay (1.0) Calculated Property | |
| ΔfG° | -153.86 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -572.62 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 28.28 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 68.85 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.45 | eV | Relay (1.0) Calculated Property |
| log10WS | -4.53 | Relay (1.0) Calculated Property | |
| logPoct/wat | 4.136 | Crippen Calculated Property | |
| McVol | 205.770 | ml/mol | McGowan Calculated Property |
| Pc | 1610.29 | kPa | Joback Calculated Property |
| Inp | [1466.00; 1466.00] |
|
|
| Inp | 1466.00 | NIST | |
| Inp | 1466.00 | NIST | |
| Ip | [1668.00; 1668.00] |
|
|
| Ip | 1668.00 | NIST | |
| Ip | 1668.00 | NIST | |
| Tboil | 519.03 | K | Relay (1.0) Calculated Property |
| Tc | 681.64 | K | Relay (1.0) Calculated Property |
| Tfus | 241.89 | K | Relay (1.0) Calculated Property |
| Vc | 0.799 | m3/kmol | Relay (1.0) Calculated Property |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [311.75; 727.55] | 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 | 4.03890e+01 | |||
| Coefficient B | 1.11836e+00 | |||
| Coefficient C | -4.64600e-04 | |||
| Coefficient D | 3.34000e-08 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 311.75 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 379.37 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 441.39 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 497.91 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 549.04 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 594.88 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 635.55 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 671.15 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 701.78 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 727.55 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0039976; 0.0001707] | Pa×s | [265.73; 493.27] |
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 | -1.23580e+01 | |||
| Coefficient B | 1.81652e+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. | 265.73 | |||
| Temperature range, max. | 493.27 | |||
| η | 0.0039976 | Pa×s | 265.73 | Calculated Property |
| η | 0.0022074 | Pa×s | 291.01 | Calculated Property |
| η | 0.0013403 | Pa×s | 316.29 | Calculated Property |
| η | 0.0008761 | Pa×s | 341.58 | Calculated Property |
| η | 0.0006073 | Pa×s | 366.86 | Calculated Property |
| η | 0.0004413 | Pa×s | 392.14 | Calculated Property |
| η | 0.0003334 | Pa×s | 417.42 | Calculated Property |
| η | 0.0002600 | Pa×s | 442.70 | Calculated Property |
| η | 0.0002083 | Pa×s | 467.99 | Calculated Property |
| η | 0.0001707 | Pa×s | 493.27 | Calculated Property |
Similar Compounds
Find more compounds similar to UNDECANE, 1,1-DIMETHOXY-.
Sources
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