- InChI
- InChI=1S/C9H16O/c1-2-3-4-5-6-7-8-9-10/h3-4,6-7,10H,2,5,8-9H2,1H3/b4-3+,7-6+
- InChI Key
- PICGPEBVZGCYBV-FZWLCVONSA-N
- Formula
- C9H16O
- SMILES
- CCC=CCC=CCCO
- Molecular Weight1
- 140.22
- CAS
- 76649-25-7
- Other Names
-
- 3,6-nonadien-1-ol
- 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).
- 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 | 0.5707 | Relay (1.0) Calculated Property | |
| ΔfG° | 48.52 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -237.36 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 23.56 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 76.24 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.89 | eV | Relay (1.0) Calculated Property |
| logPoct/wat | 2.281 | Crippen Calculated Property | |
| McVol | 134.940 | ml/mol | McGowan Calculated Property |
| Pc | 2811.36 | kPa | Joback Calculated Property |
| Inp | [1165.00; 1165.00] |
|
|
| Inp | 1165.00 | NIST | |
| Inp | 1165.00 | NIST | |
| Tboil | 482.74 | K | Relay (1.0) Calculated Property |
| Tc | 669.68 | K | Relay (1.0) Calculated Property |
| Tfus | 235.89 | K | Relay (1.0) Calculated Property |
| Vc | 0.472 | m3/kmol | Relay (1.0) Calculated Property |
Cheméo can also estimate Log10 of Water solubility in mol/l for this compound, but it falls outside the models' validated range, so it is not shown here. Open the prediction tool to compute it on demand.
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [180.90; 441.15] | 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 | -2.83660e+01 | |||
| Coefficient B | 9.32820e-01 | |||
| Coefficient C | -6.63800e-04 | |||
| Coefficient D | 2.00500e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 180.90 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 227.44 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 268.10 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 303.50 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 334.29 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 361.09 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 384.55 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 405.29 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 423.94 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 441.15 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0451627; 0.0001444] | Pa×s | [241.85; 475.16] |
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 | -1.47987e+01 | |||
| Coefficient B | 2.82995e+03 | |||
| Coefficient C | 0.00000e+00 | |||
| Coefficient D | 0.00000e+00 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 241.85 | |||
| Temperature range, max. | 475.16 | |||
| η | 0.0451627 | Pa×s | 241.85 | Calculated Property |
| η | 0.0145482 | Pa×s | 267.77 | Calculated Property |
| η | 0.0057238 | Pa×s | 293.70 | Calculated Property |
| η | 0.0026199 | Pa×s | 319.62 | Calculated Property |
| η | 0.0013483 | Pa×s | 345.54 | Calculated Property |
| η | 0.0007613 | Pa×s | 371.47 | Calculated Property |
| η | 0.0004632 | Pa×s | 397.39 | Calculated Property |
| η | 0.0002995 | Pa×s | 423.31 | Calculated Property |
| η | 0.0002036 | Pa×s | 449.24 | Calculated Property |
| η | 0.0001444 | Pa×s | 475.16 | Calculated Property |
Similar Compounds
Find more compounds similar to 3,6-nonadienol.
Sources
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