- InChI
- InChI=1S/C10H18O/c1-5-9(4)8-10(11,6-2)7-3/h2,9,11H,5,7-8H2,1,3-4H3
- InChI Key
- FMLRBVOUYLRDRV-UHFFFAOYSA-N
- Formula
- C10H18O
- SMILES
- C#CC(O)(CC)CC(C)CC
- Molecular Weight1
- 154.25
- CAS
- 207974-16-1
- ω : Acentric Factor.
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- 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).
- 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.
Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| ω | 0.5440 | Relay (1.0) Calculated Property | |
| ΔfG° | 119.97 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -155.65 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 17.78 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 66.68 | kJ/mol | Relay (1.0) Calculated Property |
| logPoct/wat | 2.197 | Crippen Calculated Property | |
| McVol | 149.030 | ml/mol | McGowan Calculated Property |
| Pc | 2738.28 | kPa | Joback Calculated Property |
| Tboil | 452.05 | K | Relay (1.0) Calculated Property |
| Tc | 648.96 | K | Relay (1.0) Calculated Property |
| Tfus | 241.00 | K | Relay (1.0) Calculated Property |
| Vc | 0.508 | m3/kmol | Relay (1.0) Calculated Property |
Cheméo can also estimate Ionization energy, Log10 of Water solubility in mol/l for this compound, but they fall outside the models' validated range, so they are not shown here. Open the prediction tool to compute them on demand.
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [217.16; 498.23] | 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 | -1.32870e+01 | |||
| Coefficient B | 1.02566e+00 | |||
| Coefficient C | -7.21530e-04 | |||
| Coefficient D | 2.07390e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 217.16 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 268.45 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 313.19 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 352.04 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 385.66 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 414.70 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 439.82 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 461.68 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 480.93 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 498.23 | J/mol×K | 1000.00 | Calculated Property |
Similar Compounds
Find more compounds similar to 3-Ethyl-5-methyl-1-heptyn-3-ol.
Sources
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