- InChI
- InChI=1S/C9H14O2/c1-2-3-4-5-6-7-8-9(10)11/h2,5-8H2,1H3,(H,10,11)
- InChI Key
- JYHVTTAHMRXBQX-UHFFFAOYSA-N
- Formula
- C9H14O2
- SMILES
- CCC#CCCCCC(=O)O
- Molecular Weight1
- 154.21
- CAS
- 56630-31-0
- 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).
- Pvap : Vapor 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 | 0.6681 | Relay (1.0) Calculated Property | |
| ΔfG° | -116.21 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -311.87 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 32.33 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 87.14 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.56 | eV | Relay (1.0) Calculated Property |
| log10WS | -1.46 | Relay (1.0) Calculated Property | |
| logPoct/wat | 2.045 | Crippen Calculated Property | |
| McVol | 136.510 | ml/mol | McGowan Calculated Property |
| Pc | 2976.29 | kPa | Joback Calculated Property |
| Tboil | 518.67 | K | Relay (1.0) Calculated Property |
| Tc | 732.28 | K | Relay (1.0) Calculated Property |
| Tfus | 295.32 | K | Relay (1.0) Calculated Property |
| Vc | 0.492 | m3/kmol | Relay (1.0) Calculated Property |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [193.13; 433.31] | 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 | 1.68650e+01 | |||
| Coefficient B | 7.59820e-01 | |||
| Coefficient C | -4.46260e-04 | |||
| Coefficient D | 1.02880e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 193.13 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 234.37 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 271.22 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 303.99 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 333.02 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 358.62 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 381.12 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 400.86 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 418.14 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 433.31 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Pvap | [1.32; 200.94] | kPa | [447.15; 613.15] |
The Yaws Handbook of Vapor Pressure
|
| Equation | ln(Y) = A + B/(T + C) Y is Pvap in kPa, T in K | |||
| Coefficient A | 1.57239e+01 | |||
| Coefficient B | -5.31769e+03 | |||
| Coefficient C | -1.02860e+02 | |||
| Temperature range, min. | 447.15 | |||
| Temperature range, max. | 613.15 | |||
| Pvap | 1.32 | kPa | 447.15 | Calculated Property |
| Pvap | 2.90 | kPa | 465.59 | Calculated Property |
| Pvap | 5.89 | kPa | 484.04 | Calculated Property |
| Pvap | 11.21 | kPa | 502.48 | Calculated Property |
| Pvap | 20.17 | kPa | 520.93 | Calculated Property |
| Pvap | 34.53 | kPa | 539.37 | Calculated Property |
| Pvap | 56.58 | kPa | 557.82 | Calculated Property |
| Pvap | 89.21 | kPa | 576.26 | Calculated Property |
| Pvap | 135.94 | kPa | 594.71 | Calculated Property |
| Pvap | 200.94 | kPa | 613.15 | Calculated Property |
Similar Compounds
Find more compounds similar to 6-nonynoic acid.
Sources
- Cheméo Relay (1.0)
- Crippen Method
- Crippen Method
- Joback Method
- McGowan Method
- The Yaws Handbook of Vapor Pressure
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