- InChI
- InChI=1S/C8H16O2/c1-7(2)4-5-8(3)10-6-9/h6-8H,4-5H2,1-3H3
- InChI Key
- KBIUZYHWAWGQLP-UHFFFAOYSA-N
- Formula
- C8H16O2
- SMILES
- CC(C)CCC(C)OC=O
- Molecular Weight1
- 144.21
- 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 | 0.4802 | Relay (1.0) Calculated Property | |
| ΔfG° | -246.39 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -504.14 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 15.48 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 50.14 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 10.26 | eV | Relay (1.0) Calculated Property |
| log10WS | -2.52 | Relay (1.0) Calculated Property | |
| logPoct/wat | 1.984 | Crippen Calculated Property | |
| McVol | 131.020 | ml/mol | McGowan Calculated Property |
| Pc | 2621.78 | kPa | Joback Calculated Property |
| Inp | [956.00; 956.00] |
|
|
| Inp | 956.00 | NIST | |
| Inp | 956.00 | NIST | |
| Tboil | 411.56 | K | Relay (1.0) Calculated Property |
| Tc | 593.74 | K | Relay (1.0) Calculated Property |
| Tfus | 215.03 | 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 | [185.38; 425.11] | 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 | -2.74800e+00 | |||
| Coefficient B | 8.23960e-01 | |||
| Coefficient C | -5.30600e-04 | |||
| Coefficient D | 1.34500e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 185.38 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 228.30 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 266.15 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 299.36 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 328.37 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 353.59 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 375.44 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 394.37 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 410.78 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 425.11 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0053802; 0.0003769] | Pa×s | [208.62; 431.00] |
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 | -1.03777e+01 | |||
| Coefficient B | 1.07495e+03 | |||
| Coefficient C | 0.00000e+00 | |||
| Coefficient D | 0.00000e+00 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 208.62 | |||
| Temperature range, max. | 431.00 | |||
| η | 0.0053802 | Pa×s | 208.62 | Calculated Property |
| η | 0.0031176 | Pa×s | 233.33 | Calculated Property |
| η | 0.0020055 | Pa×s | 258.04 | Calculated Property |
| η | 0.0013936 | Pa×s | 282.75 | Calculated Property |
| η | 0.0010267 | Pa×s | 307.46 | Calculated Property |
| η | 0.0007916 | Pa×s | 332.17 | Calculated Property |
| η | 0.0006327 | Pa×s | 356.87 | Calculated Property |
| η | 0.0005205 | Pa×s | 381.58 | Calculated Property |
| η | 0.0004386 | Pa×s | 406.29 | Calculated Property |
| η | 0.0003769 | Pa×s | 431.00 | Calculated Property |
Similar Compounds
Find more compounds similar to Formic acid, 5-methylhex-2-yl ester.
Sources
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