- InChI
- InChI=1S/C12H24O/c1-4-11(3)9-7-6-8-10-12(13)5-2/h5,11-13H,2,4,6-10H2,1,3H3
- InChI Key
- XKVPGXANUNAWFV-UHFFFAOYSA-N
- Formula
- C12H24O
- SMILES
- C=CC(O)CCCCCC(C)CC
- Molecular Weight1
- 184.32
- 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 | 0.6996 | Relay (1.0) Calculated Property | |
| ΔfG° | -3.70 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -383.67 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 22.60 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 75.85 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.49 | eV | Relay (1.0) Calculated Property |
| log10WS | -3.52 | Relay (1.0) Calculated Property | |
| logPoct/wat | 3.530 | Crippen Calculated Property | |
| McVol | 181.510 | ml/mol | McGowan Calculated Property |
| Pc | 2029.06 | kPa | Joback Calculated Property |
| Inp | 1362.00 | NIST | |
| Tboil | 509.65 | K | Relay (1.0) Calculated Property |
| Tc | 686.80 | K | Relay (1.0) Calculated Property |
| Tfus | 267.82 | K | Relay (1.0) Calculated Property |
| Vc | 0.654 | m3/kmol | Relay (1.0) Calculated Property |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [262.11; 629.66] | 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 | -9.08400e+00 | |||
| Coefficient B | 1.16964e+00 | |||
| Coefficient C | -6.88700e-04 | |||
| Coefficient D | 1.57800e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 262.11 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 325.50 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 382.09 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 432.37 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 476.85 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 516.02 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 550.39 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 580.46 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 606.71 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 629.66 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0741066; 0.0001427] | Pa×s | [254.06; 509.19] |
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 | -1.50813e+01 | |||
| Coefficient B | 3.17043e+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. | 254.06 | |||
| Temperature range, max. | 509.19 | |||
| η | 0.0741066 | Pa×s | 254.06 | Calculated Property |
| η | 0.0211759 | Pa×s | 282.41 | Calculated Property |
| η | 0.0076047 | Pa×s | 310.76 | Calculated Property |
| η | 0.0032410 | Pa×s | 339.10 | Calculated Property |
| η | 0.0015755 | Pa×s | 367.45 | Calculated Property |
| η | 0.0008493 | Pa×s | 395.80 | Calculated Property |
| η | 0.0004972 | Pa×s | 424.15 | Calculated Property |
| η | 0.0003113 | Pa×s | 452.50 | Calculated Property |
| η | 0.0002060 | Pa×s | 480.84 | Calculated Property |
| η | 0.0001427 | Pa×s | 509.19 | Calculated Property |
Similar Compounds
Find more compounds similar to 9-Methylundec-1-en-3-ol.
Sources
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