- InChI
- InChI=1S/C11H20O/c1-5-7-8-10(9(3)4)11(12)6-2/h5-8H2,1-4H3
- InChI Key
- NHPCTOQWRLAEGD-UHFFFAOYSA-N
- Formula
- C11H20O
- SMILES
- CCCCC(C(=O)CC)=C(C)C
- Molecular Weight1
- 168.28
- 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).
- 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.
- Ip : 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 | 0.4698 | Relay (1.0) Calculated Property | |
| ΔfG° | -24.06 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -282.54 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 23.43 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 56.85 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.35 | eV | Relay (1.0) Calculated Property |
| log10WS | -3.11 | Relay (1.0) Calculated Property | |
| logPoct/wat | 3.492 | Crippen Calculated Property | |
| McVol | 163.120 | ml/mol | McGowan Calculated Property |
| Pc | 2165.35 | kPa | Joback Calculated Property |
| Inp | 1241.00 | NIST | |
| Ip | [1637.00; 1637.00] |
|
|
| Ip | 1637.00 | NIST | |
| Ip | 1637.00 | NIST | |
| Tboil | 467.35 | K | Relay (1.0) Calculated Property |
| Tc | 674.34 | K | Relay (1.0) Calculated Property |
| Tfus | 255.43 | K | Relay (1.0) Calculated Property |
| Vc | 0.601 | m3/kmol | Relay (1.0) Calculated Property |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [226.06; 544.72] | 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 | -1.33160e+01 | |||
| Coefficient B | 1.04068e+00 | |||
| Coefficient C | -6.44300e-04 | |||
| Coefficient D | 1.61660e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 226.06 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 281.37 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 330.51 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 374.00 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 412.34 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 446.04 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 475.62 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 501.59 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 524.45 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 544.72 | J/mol×K | 1000.00 | Calculated Property |
Similar Compounds
Find more compounds similar to (1R)-(+)-pulegone.
Sources
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