- InChI
- InChI=1S/C16H24O/c1-2-3-4-5-6-7-8-9-10-15-11-13-16(17)14-12-15/h6-7,11-14,17H,2-5,8-10H2,1H3/b7-6+
- InChI Key
- LMJPVRXXPPOFAM-VOTSOKGWSA-N
- Formula
- C16H24O
- SMILES
- CCCCC/C=C/CCCc1ccc(O)cc1
- Molecular Weight1
- 232.37
- 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 | 0.7458 | Relay (1.0) Calculated Property | |
| ΔfG° | 121.85 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -205.84 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 37.22 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 99.43 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.08 | eV | Relay (1.0) Calculated Property |
| log10WS | -5.18 | Relay (1.0) Calculated Property | |
| logPoct/wat | 4.851 | Crippen Calculated Property | |
| McVol | 214.110 | ml/mol | McGowan Calculated Property |
| Pc | 2025.41 | kPa | Joback Calculated Property |
| Inp | 2016.00 | NIST | |
| Tboil | 602.84 | K | Relay (1.0) Calculated Property |
| Tc | 808.79 | K | Relay (1.0) Calculated Property |
| Tfus | 315.09 | K | Relay (1.0) Calculated Property |
| Vc | 0.761 | m3/kmol | Relay (1.0) Calculated Property |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [290.53; 718.10] | 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 | -6.86630e+01 | |||
| Coefficient B | 1.61952e+00 | |||
| Coefficient C | -1.21796e-03 | |||
| Coefficient D | 3.85200e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 290.53 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 368.90 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 436.72 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 495.19 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 545.55 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 588.99 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 626.75 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 660.05 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 690.09 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 718.10 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0010245; 0.0000241] | Pa×s | [403.14; 618.61] |
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 | -1.76477e+01 | |||
| Coefficient B | 4.33944e+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. | 403.14 | |||
| Temperature range, max. | 618.61 | |||
| η | 0.0010245 | Pa×s | 403.14 | Calculated Property |
| η | 0.0005603 | Pa×s | 427.08 | Calculated Property |
| η | 0.0003267 | Pa×s | 451.02 | Calculated Property |
| η | 0.0002012 | Pa×s | 474.96 | Calculated Property |
| η | 0.0001298 | Pa×s | 498.91 | Calculated Property |
| η | 0.0000871 | Pa×s | 522.85 | Calculated Property |
| η | 0.0000606 | Pa×s | 546.79 | Calculated Property |
| η | 0.0000434 | Pa×s | 570.73 | Calculated Property |
| η | 0.0000320 | Pa×s | 594.67 | Calculated Property |
| η | 0.0000241 | Pa×s | 618.61 | Calculated Property |
Similar Compounds
Find more compounds similar to gibbilimbol A.
Sources
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