- InChI
- InChI=1S/C8H18O2/c1-8(2,10)6-4-3-5-7-9/h9-10H,3-7H2,1-2H3
- InChI Key
- XICLOMYOBVKLTR-UHFFFAOYSA-N
- Formula
- C8H18O2
- SMILES
- CC(C)(O)CCCCCO
- Molecular Weight1
- 146.23
- Other Names
-
- 6-methyl-1,6-heptanediol
- 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 | 0.8010 | Relay (1.0) Calculated Property | |
| ΔfG° | -254.32 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -546.36 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 17.24 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 90.97 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.74 | eV | Relay (1.0) Calculated Property |
| log10WS | -0.73 | Relay (1.0) Calculated Property | |
| logPoct/wat | 1.310 | Crippen Calculated Property | |
| McVol | 135.320 | ml/mol | McGowan Calculated Property |
| Pc | 3145.56 | kPa | Joback Calculated Property |
| Tboil | 514.92 | K | Relay (1.0) Calculated Property |
| Tc | 708.40 | K | Relay (1.0) Calculated Property |
| Tfus | 310.19 | K | Relay (1.0) Calculated Property |
| Vc | 0.502 | m3/kmol | Relay (1.0) Calculated Property |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [198.73; 470.87] | 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 | -1.82750e+01 | |||
| Coefficient B | 9.57640e-01 | |||
| Coefficient C | -6.44000e-04 | |||
| Coefficient D | 1.75500e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 198.73 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 247.69 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 290.66 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 328.22 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 360.92 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 389.30 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 413.94 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 435.37 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 454.16 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 470.87 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0577073; 0.0001069] | Pa×s | [303.98; 509.33] |
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 | -1.84568e+01 | |||
| Coefficient B | 4.74344e+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. | 303.98 | |||
| Temperature range, max. | 509.33 | |||
| η | 0.0577073 | Pa×s | 303.98 | Calculated Property |
| η | 0.0194122 | Pa×s | 326.80 | Calculated Property |
| η | 0.0075280 | Pa×s | 349.61 | Calculated Property |
| η | 0.0032786 | Pa×s | 372.43 | Calculated Property |
| η | 0.0015717 | Pa×s | 395.25 | Calculated Property |
| η | 0.0008164 | Pa×s | 418.06 | Calculated Property |
| η | 0.0004538 | Pa×s | 440.88 | Calculated Property |
| η | 0.0002673 | Pa×s | 463.70 | Calculated Property |
| η | 0.0001654 | Pa×s | 486.51 | Calculated Property |
| η | 0.0001069 | Pa×s | 509.33 | Calculated Property |
Similar Compounds
Find more compounds similar to 6-METHYLHEPTANE-1,6-DIOL.
Sources
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