- InChI
- InChI=1S/C9H18O2/c1-3-4-5-6-7-9(2)11-8-10/h8-9H,3-7H2,1-2H3
- InChI Key
- CQRBMEAOKCDBEA-UHFFFAOYSA-N
- Formula
- C9H18O2
- SMILES
- CCCCCCC(C)OC=O
- Molecular Weight1
- 158.24
- 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 | 0.5552 | Relay (1.0) Calculated Property | |
| ΔfG° | -235.53 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -517.76 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 21.59 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 54.69 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 10.20 | eV | Relay (1.0) Calculated Property |
| log10WS | -3.31 | Relay (1.0) Calculated Property | |
| logPoct/wat | 2.518 | Crippen Calculated Property | |
| McVol | 145.110 | ml/mol | McGowan Calculated Property |
| Pc | 2363.37 | kPa | Joback Calculated Property |
| Inp | 1083.00 | NIST | |
| Tboil | 440.27 | K | Relay (1.0) Calculated Property |
| Tc | 620.79 | K | Relay (1.0) Calculated Property |
| Tfus | 230.35 | K | Relay (1.0) Calculated Property |
| Vc | 0.549 | m3/kmol | Relay (1.0) Calculated Property |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [206.91; 476.16] | 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 | -1.97500e+00 | |||
| Coefficient B | 9.13040e-01 | |||
| Coefficient C | -5.81800e-04 | |||
| Coefficient D | 1.46900e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 206.91 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 254.73 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 296.98 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 334.14 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 366.67 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 395.04 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 419.71 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 441.14 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 459.81 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 476.16 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0039516; 0.0004093] | Pa×s | [234.89; 443.83] |
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 | -1.03499e+01 | |||
| Coefficient B | 1.13129e+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. | 234.89 | |||
| Temperature range, max. | 443.83 | |||
| η | 0.0039516 | Pa×s | 234.89 | Calculated Property |
| η | 0.0025624 | Pa×s | 258.11 | Calculated Property |
| η | 0.0017847 | Pa×s | 281.32 | Calculated Property |
| η | 0.0013135 | Pa×s | 304.54 | Calculated Property |
| η | 0.0010096 | Pa×s | 327.75 | Calculated Property |
| η | 0.0008035 | Pa×s | 350.97 | Calculated Property |
| η | 0.0006579 | Pa×s | 374.18 | Calculated Property |
| η | 0.0005513 | Pa×s | 397.40 | Calculated Property |
| η | 0.0004712 | Pa×s | 420.61 | Calculated Property |
| η | 0.0004093 | Pa×s | 443.83 | Calculated Property |
Similar Compounds
Find more compounds similar to Formic acid, oct-2-yl ester.
Sources
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