- InChI
- InChI=1S/C10H18O2/c1-2-3-4-5-6-7-8-9-10(11)12/h7-8H,2-6,9H2,1H3,(H,11,12)/b8-7+
- InChI Key
- CPVUNKGURQKKKX-BQYQJAHWSA-N
- Formula
- C10H18O2
- SMILES
- CCCCCCC=CCC(=O)O
- Molecular Weight1
- 170.25
- CAS
- 53678-20-9
- Other Names
-
- E-3-Decenoic acid
- 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.
- Ip : 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 | 0.7420 | Relay (1.0) Calculated Property | |
| ΔfG° | -230.37 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -522.92 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 32.00 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 84.75 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.37 | eV | Relay (1.0) Calculated Property |
| log10WS | -3.13 | Relay (1.0) Calculated Property | |
| logPoct/wat | 2.988 | Crippen Calculated Property | |
| McVol | 154.900 | ml/mol | McGowan Calculated Property |
| Pc | 2410.00 | kPa | Joback Calculated Property |
| Inp | [1366.00; 1366.00] |
|
|
| Inp | 1366.00 | NIST | |
| Inp | 1366.00 | NIST | |
| Ip | 2395.00 | NIST | |
| Tboil | 532.16 | K | Relay (1.0) Calculated Property |
| Tc | 721.75 | K | Relay (1.0) Calculated Property |
| Tfus | 273.45 | K | Relay (1.0) Calculated Property |
| Vc | 0.565 | m3/kmol | Relay (1.0) Calculated Property |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [217.24; 515.44] | 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 | -1.57840e+01 | |||
| Coefficient B | 1.02462e+00 | |||
| Coefficient C | -6.76600e-04 | |||
| Coefficient D | 1.83200e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 217.24 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 270.13 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 316.74 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 357.63 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 393.38 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 424.58 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 451.81 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 475.64 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 496.66 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 515.44 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0015639; 0.0002443] | Pa×s | [357.98; 536.49] |
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 | -1.20397e+01 | |||
| Coefficient B | 1.99722e+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. | 357.98 | |||
| Temperature range, max. | 536.49 | |||
| η | 0.0015639 | Pa×s | 357.98 | Calculated Property |
| η | 0.0011668 | Pa×s | 377.81 | Calculated Property |
| η | 0.0008964 | Pa×s | 397.65 | Calculated Property |
| η | 0.0007061 | Pa×s | 417.48 | Calculated Property |
| η | 0.0005684 | Pa×s | 437.32 | Calculated Property |
| η | 0.0004662 | Pa×s | 457.15 | Calculated Property |
| η | 0.0003888 | Pa×s | 476.98 | Calculated Property |
| η | 0.0003289 | Pa×s | 496.82 | Calculated Property |
| η | 0.0002819 | Pa×s | 516.65 | Calculated Property |
| η | 0.0002443 | Pa×s | 536.49 | Calculated Property |
Similar Compounds
Find more compounds similar to 3-Decenoic acid, (E)-.
Sources
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