- 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° | -329.87 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -581.45 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 23.10 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 77.18 | 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 | 2802.44 | kPa | Joback Calculated Property |
| Tboil | 503.79 | K | Relay (1.0) Calculated Property |
| Tc | 685.98 | K | Relay (1.0) Calculated Property |
| Tfus | 278.49 | K | Relay (1.0) Calculated Property |
| Vc | 0.483 | m3/kmol | Relay (1.0) Calculated Property |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [188.50; 443.37] | 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 | -1.46600e+00 | |||
| Coefficient B | 8.20540e-01 | |||
| Coefficient C | -4.87200e-04 | |||
| Coefficient D | 1.11500e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 188.50 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 232.78 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 272.25 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 307.26 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 338.16 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 365.30 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 389.04 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 409.73 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 427.73 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 443.37 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0022215; 0.0002958] | Pa×s | [325.52; 501.49] |
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 | -1.18557e+01 | |||
| Coefficient B | 1.87048e+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. | 325.52 | |||
| Temperature range, max. | 501.49 | |||
| η | 0.0022215 | Pa×s | 325.52 | Calculated Property |
| η | 0.0016042 | Pa×s | 345.07 | Calculated Property |
| η | 0.0011995 | Pa×s | 364.62 | Calculated Property |
| η | 0.0009239 | Pa×s | 384.18 | Calculated Property |
| η | 0.0007298 | Pa×s | 403.73 | Calculated Property |
| η | 0.0005892 | Pa×s | 423.28 | Calculated Property |
| η | 0.0004848 | Pa×s | 442.83 | Calculated Property |
| η | 0.0004055 | Pa×s | 462.38 | Calculated Property |
| η | 0.0003441 | Pa×s | 481.93 | Calculated Property |
| η | 0.0002958 | Pa×s | 501.49 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Pvap | [1.33; 202.64] | kPa | [383.72; 530.15] |
The Yaws Handbook of Vapor Pressure
|
| Equation | ln(Y) = A + B/(T + C) Y is Pvap in kPa, T in K | |||
| Coefficient A | 1.57061e+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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