- InChI
- InChI=1S/C8H16O2/c1-7(2)5-3-4-6-8(9)10/h7H,3-6H2,1-2H3,(H,9,10)
- InChI Key
- OEOIWYCWCDBOPA-UHFFFAOYSA-N
- Formula
- C8H16O2
- SMILES
- CC(C)CCCCC(=O)O
- Molecular Weight1
- 144.21
- CAS
- 25103-52-0
- 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).
- 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 | 0.7215 | Relay (1.0) Calculated Property | |
| ΔfG° | -251.70 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -581.45 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 18.64 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 77.51 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 10.04 | eV | Relay (1.0) Calculated Property |
| log10WS | -2.11 | Relay (1.0) Calculated Property | |
| logPoct/wat | 2.287 | Crippen Calculated Property | |
| McVol | 131.020 | ml/mol | McGowan Calculated Property |
| Pc | 3009.03 | kPa | Joback Calculated Property |
| Tboil | 503.79 | K | Relay (1.0) Calculated Property |
| Tc | 675.91 | K | Relay (1.0) Calculated Property |
| Tfus | 286.15 | K | Relay (1.0) Calculated Property |
| Vc | 0.472 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [309.75; 369.66] | J/mol×K | [528.05; 700.14] | 
|
| Cp,gas | 309.75 | J/mol×K | 528.05 | Joback Calculated Property |
| Cp,gas | 320.87 | J/mol×K | 556.73 | Joback Calculated Property |
| Cp,gas | 331.52 | J/mol×K | 585.41 | Joback Calculated Property |
| Cp,gas | 341.71 | J/mol×K | 614.10 | Joback Calculated Property |
| Cp,gas | 351.46 | J/mol×K | 642.78 | Joback Calculated Property |
| Cp,gas | 360.77 | J/mol×K | 671.46 | Joback Calculated Property |
| Cp,gas | 369.66 | J/mol×K | 700.14 | Joback Calculated Property |
| η | [0.0001397; 0.0284980] | Pa×s | [275.67; 528.05] |
|
| η | 0.0284980 | Pa×s | 275.67 | Joback Calculated Property |
| η | 0.0065326 | Pa×s | 317.73 | Joback Calculated Property |
| η | 0.0021132 | Pa×s | 359.80 | Joback Calculated Property |
| η | 0.0008658 | Pa×s | 401.86 | Joback Calculated Property |
| η | 0.0004201 | Pa×s | 443.92 | Joback Calculated Property |
| η | 0.0002310 | Pa×s | 485.99 | Joback Calculated Property |
| η | 0.0001397 | Pa×s | 528.05 | Joback Calculated Property |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Pvap | [1.33; 202.64] | kPa | [383.72; 530.15] |
The Yaws Handbook of Vapor Pressure
|
| Equation | ln(Pvp) = A + B/(T + C) | |||
| Coefficient A | 1.57061e+01 | |||
| Coefficient B | -4.67138e+03 | |||
| Coefficient C | -8.07480e+01 | |||
| Temperature range, min. | 383.72 | |||
| Temperature range, max. | 530.15 | |||
| Pvap | 1.33 | kPa | 383.72 | Calculated Property |
| Pvap | 2.93 | kPa | 399.99 | Calculated Property |
| Pvap | 5.95 | kPa | 416.26 | Calculated Property |
| Pvap | 11.32 | kPa | 432.53 | Calculated Property |
| Pvap | 20.37 | kPa | 448.80 | Calculated Property |
| Pvap | 34.86 | kPa | 465.07 | Calculated Property |
| Pvap | 57.11 | kPa | 481.34 | Calculated Property |
| Pvap | 90.02 | kPa | 497.61 | Calculated Property |
| Pvap | 137.14 | kPa | 513.88 | Calculated Property |
| Pvap | 202.64 | kPa | 530.15 | Calculated Property |
Similar Compounds
Find more compounds similar to 6-methylheptanoic acid.
Sources
- Cheméo Relay (1.0)
- Crippen Method
- Crippen Method
- Joback Method
- McGowan Method
- The Yaws Handbook of Vapor Pressure
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