- InChI
- InChI=1S/C11H22O2/c1-3-4-5-6-7-8-9-11(2)13-10-12/h10-11H,3-9H2,1-2H3
- InChI Key
- XKLKJUUXCXIMLW-UHFFFAOYSA-N
- Formula
- C11H22O2
- SMILES
- CCCCCCCCC(C)OC=O
- Molecular Weight1
- 186.30
- 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 | 0.6323 | Relay (1.0) Calculated Property | |
| ΔfG° | -218.69 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -558.27 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 26.77 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 63.74 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 10.11 | eV | Relay (1.0) Calculated Property |
| log10WS | -4.28 | Relay (1.0) Calculated Property | |
| logPoct/wat | 3.298 | Crippen Calculated Property | |
| McVol | 173.290 | ml/mol | McGowan Calculated Property |
| Pc | 1977.07 | kPa | Joback Calculated Property |
| Inp | [1285.00; 1285.00] |
|
|
| Inp | 1285.00 | NIST | |
| Inp | 1285.00 | NIST | |
| Tboil | 477.81 | K | Relay (1.0) Calculated Property |
| Tc | 656.24 | K | Relay (1.0) Calculated Property |
| Tfus | 248.27 | K | Relay (1.0) Calculated Property |
| Vc | 0.662 | m3/kmol | Relay (1.0) Calculated Property |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [249.34; 579.35] | 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 | -3.79300e+00 | |||
| Coefficient B | 1.10304e+00 | |||
| Coefficient C | -6.90600e-04 | |||
| Coefficient D | 1.70700e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 249.34 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 307.56 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 359.14 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 404.60 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 444.50 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 479.36 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 509.74 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 536.17 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 559.20 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 579.35 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0042596; 0.0004091] | Pa×s | [257.43; 474.15] |
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 | -1.05847e+01 | |||
| Coefficient B | 1.31961e+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. | 257.43 | |||
| Temperature range, max. | 474.15 | |||
| η | 0.0042596 | Pa×s | 257.43 | Calculated Property |
| η | 0.0027475 | Pa×s | 281.51 | Calculated Property |
| η | 0.0018990 | Pa×s | 305.59 | Calculated Property |
| η | 0.0013853 | Pa×s | 329.67 | Calculated Property |
| η | 0.0010549 | Pa×s | 353.75 | Calculated Property |
| η | 0.0008317 | Pa×s | 377.83 | Calculated Property |
| η | 0.0006746 | Pa×s | 401.91 | Calculated Property |
| η | 0.0005604 | Pa×s | 425.99 | Calculated Property |
| η | 0.0004748 | Pa×s | 450.07 | Calculated Property |
| η | 0.0004091 | Pa×s | 474.15 | Calculated Property |
Similar Compounds
Find more compounds similar to Formic acid, dec-2-yl ester.
Sources
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