- InChI
- InChI=1S/C12H26O2/c1-5-7-8-11(6-2)12(14)9(3)10(4)13/h9-14H,5-8H2,1-4H3
- InChI Key
- LJGRJTMTDBCJEG-UHFFFAOYSA-N
- Formula
- C12H26O2
- SMILES
- CCCCC(CC)C(O)C(C)C(C)O
- Molecular Weight1
- 202.34
- 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).
- 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 | 0.7456 | Relay (1.0) Calculated Property | |
| ΔfG° | -233.24 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -582.68 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 20.92 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 92.25 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.42 | eV | Relay (1.0) Calculated Property |
| log10WS | -2.46 | Relay (1.0) Calculated Property | |
| logPoct/wat | 2.581 | Crippen Calculated Property | |
| McVol | 191.680 | ml/mol | McGowan Calculated Property |
| Pc | 2155.30 | kPa | Joback Calculated Property |
| Tboil | 537.41 | K | Relay (1.0) Calculated Property |
| Tc | 710.37 | K | Relay (1.0) Calculated Property |
| Tfus | 288.93 | K | Relay (1.0) Calculated Property |
| Vc | 0.681 | m3/kmol | Relay (1.0) Calculated Property |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [283.79; 677.91] | 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 | -4.16600e+00 | |||
| Coefficient B | 1.23548e+00 | |||
| Coefficient C | -7.02600e-04 | |||
| Coefficient D | 1.49200e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 283.79 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 351.59 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 412.28 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 466.35 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 514.25 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 556.47 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 593.48 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 625.74 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 653.72 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 677.91 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.2518162; 0.0000373] | Pa×s | [286.64; 576.02] |
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 | -1.89301e+01 | |||
| Coefficient B | 5.03082e+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. | 286.64 | |||
| Temperature range, max. | 576.02 | |||
| η | 0.2518162 | Pa×s | 286.64 | Calculated Property |
| η | 0.0428849 | Pa×s | 318.79 | Calculated Property |
| η | 0.0101017 | Pa×s | 350.95 | Calculated Property |
| η | 0.0030331 | Pa×s | 383.10 | Calculated Property |
| η | 0.0010972 | Pa×s | 415.25 | Calculated Property |
| η | 0.0004594 | Pa×s | 447.41 | Calculated Property |
| η | 0.0002161 | Pa×s | 479.56 | Calculated Property |
| η | 0.0001118 | Pa×s | 511.71 | Calculated Property |
| η | 0.0000625 | Pa×s | 543.87 | Calculated Property |
| η | 0.0000373 | Pa×s | 576.02 | Calculated Property |
Similar Compounds
Find more compounds similar to 2,4-Nonanediol, 5-ethyl-3-methyl-.
Sources
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