- InChI
- InChI=1S/C16H30O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17/h17H,2-6,9-16H2,1H3
- InChI Key
- BBJUQSUKHMQMSH-UHFFFAOYSA-N
- Formula
- C16H30O
- SMILES
- CCCCCCC#CCCCCCCCCO
- Molecular Weight1
- 238.41
- CAS
- 88109-73-3
- 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).
- 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 | 0.8752 | Relay (1.0) Calculated Property | |
| ΔfG° | 149.82 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -278.90 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 44.41 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 105.49 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.47 | eV | Relay (1.0) Calculated Property |
| log10WS | -5.18 | Relay (1.0) Calculated Property | |
| logPoct/wat | 4.683 | Crippen Calculated Property | |
| McVol | 233.570 | ml/mol | McGowan Calculated Property |
| Pc | 1597.44 | kPa | Joback Calculated Property |
| Tboil | 580.17 | K | Relay (1.0) Calculated Property |
| Tc | 778.42 | K | Relay (1.0) Calculated Property |
| Tfus | 304.49 | K | Relay (1.0) Calculated Property |
| Vc | 0.875 | m3/kmol | Relay (1.0) Calculated Property |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [340.51; 802.33] | 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 | 1.11930e+01 | |||
| Coefficient B | 1.40802e+00 | |||
| Coefficient C | -7.84860e-04 | |||
| Coefficient D | 1.67980e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 340.51 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 418.52 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 488.63 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 551.35 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 607.21 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 656.76 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 700.51 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 739.00 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 772.77 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 802.33 | J/mol×K | 1000.00 | Calculated Property |
Similar Compounds
Find more compounds similar to 9-Hexadecyn-1-ol.
Sources
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