- InChI
- InChI=1S/C20H32O2/c1-3-5-7-8-9-10-11-17-22-20(21)19-15-13-18(14-16-19)12-6-4-2/h13-16H,3-12,17H2,1-2H3
- InChI Key
- XKLMVDBBEMBEFD-UHFFFAOYSA-N
- Formula
- C20H32O2
- SMILES
- CCCCCCCCCOC(=O)c1ccc(CCCC)cc1
- Molecular Weight1
- 304.47
- 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 | 0.9361 | Relay (1.0) Calculated Property | |
| ΔfG° | -90.07 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -542.53 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 45.58 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 99.56 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.00 | eV | Relay (1.0) Calculated Property |
| log10WS | -6.62 | Relay (1.0) Calculated Property | |
| logPoct/wat | 5.937 | Crippen Calculated Property | |
| McVol | 276.340 | ml/mol | McGowan Calculated Property |
| Pc | 1260.16 | kPa | Joback Calculated Property |
| Inp | [2266.50; 2266.50] |
|
|
| Inp | 2266.50 | NIST | |
| Inp | 2266.50 | NIST | |
| Tboil | 627.18 | K | Relay (1.0) Calculated Property |
| Tc | 821.23 | K | Relay (1.0) Calculated Property |
| Tfus | 265.91 | K | Relay (1.0) Calculated Property |
| Vc | 1.053 | m3/kmol | Relay (1.0) Calculated Property |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [391.39; 937.69] | 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 | -9.48900e+00 | |||
| Coefficient B | 1.71064e+00 | |||
| Coefficient C | -9.33760e-04 | |||
| Coefficient D | 1.70300e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 391.39 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 486.37 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 571.52 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 647.39 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 714.51 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 773.41 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 824.64 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 868.74 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 906.25 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 937.69 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0013756; 0.0001067] | Pa×s | [396.43; 655.28] |
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 | -1.30604e+01 | |||
| Coefficient B | 2.56552e+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. | 396.43 | |||
| Temperature range, max. | 655.28 | |||
| η | 0.0013756 | Pa×s | 396.43 | Calculated Property |
| η | 0.0008879 | Pa×s | 425.19 | Calculated Property |
| η | 0.0006058 | Pa×s | 453.95 | Calculated Property |
| η | 0.0004326 | Pa×s | 482.71 | Calculated Property |
| η | 0.0003209 | Pa×s | 511.47 | Calculated Property |
| η | 0.0002457 | Pa×s | 540.24 | Calculated Property |
| η | 0.0001932 | Pa×s | 569.00 | Calculated Property |
| η | 0.0001556 | Pa×s | 597.76 | Calculated Property |
| η | 0.0001277 | Pa×s | 626.52 | Calculated Property |
| η | 0.0001067 | Pa×s | 655.28 | Calculated Property |
Similar Compounds
Find more compounds similar to 4-butylbenzoic acid, nonyl ester.
Sources
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