- InChI
- InChI=1S/C12H24O2/c1-2-3-4-5-6-7-8-9-10-11-14-12-13/h12H,2-11H2,1H3
- InChI Key
- OASFNORBKVGDRW-UHFFFAOYSA-N
- Formula
- C12H24O2
- SMILES
- CCCCCCCCCCCOC=O
- Molecular Weight1
- 200.32
- 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 | 0.7111 | Relay (1.0) Calculated Property | |
| ΔfG° | -207.83 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -558.19 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 32.89 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 74.02 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 10.03 | eV | Relay (1.0) Calculated Property |
| log10WS | -4.85 | Relay (1.0) Calculated Property | |
| logPoct/wat | 3.690 | Crippen Calculated Property | |
| McVol | 187.380 | ml/mol | McGowan Calculated Property |
| Pc | 1806.16 | kPa | Joback Calculated Property |
| Inp | 1441.00 | NIST | |
| Tboil | 519.51 | K | Relay (1.0) Calculated Property |
| Tc | 697.39 | K | Relay (1.0) Calculated Property |
| Tfus | 271.38 | K | Relay (1.0) Calculated Property |
| Vc | 0.732 | m3/kmol | Relay (1.0) Calculated Property |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [270.87; 630.40] | 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 | -3.02000e+00 | |||
| Coefficient B | 1.19212e+00 | |||
| Coefficient C | -7.41800e-04 | |||
| Coefficient D | 1.83100e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 270.87 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 333.99 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 389.97 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 439.38 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 482.80 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 520.82 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 554.01 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 582.95 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 608.22 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 630.40 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0032566; 0.0004286] | Pa×s | [283.70; 487.58] |
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 | -1.05771e+01 | |||
| Coefficient B | 1.37595e+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. | 283.70 | |||
| Temperature range, max. | 487.58 | |||
| η | 0.0032566 | Pa×s | 283.70 | Calculated Property |
| η | 0.0022752 | Pa×s | 306.35 | Calculated Property |
| η | 0.0016700 | Pa×s | 329.01 | Calculated Property |
| η | 0.0012756 | Pa×s | 351.66 | Calculated Property |
| η | 0.0010066 | Pa×s | 374.32 | Calculated Property |
| η | 0.0008161 | Pa×s | 396.97 | Calculated Property |
| η | 0.0006769 | Pa×s | 419.62 | Calculated Property |
| η | 0.0005722 | Pa×s | 442.28 | Calculated Property |
| η | 0.0004917 | Pa×s | 464.93 | Calculated Property |
| η | 0.0004286 | Pa×s | 487.58 | Calculated Property |
Similar Compounds
Find more compounds similar to Formic acid, undecyl ester.
Sources
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