- InChI
- InChI=1S/C20H38O4/c1-4-5-6-7-8-12-16-23-19(21)13-10-9-11-14-20(22)24-17-15-18(2)3/h18H,4-17H2,1-3H3
- InChI Key
- UKRCYAJAAKCWLJ-UHFFFAOYSA-N
- Formula
- C20H38O4
- SMILES
-
CCCCCCCCOC(=O)CCCCCC(=O)OCCC(C
)C - Molecular Weight1
- 342.52
- 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 | 1.0118 | Relay (1.0) Calculated Property | |
| ΔfG° | -505.66 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -1078.47 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 52.77 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 96.66 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.45 | eV | Relay (1.0) Calculated Property |
| log10WS | -5.12 | Relay (1.0) Calculated Property | |
| logPoct/wat | 5.430 | Crippen Calculated Property | |
| McVol | 307.540 | ml/mol | McGowan Calculated Property |
| Pc | 1027.28 | kPa | Joback Calculated Property |
| Inp | [2330.00; 2330.00] |
|
|
| Inp | 2330.00 | NIST | |
| Inp | 2330.00 | NIST | |
| Tboil | 611.14 | K | Relay (1.0) Calculated Property |
| Tc | 780.38 | K | Relay (1.0) Calculated Property |
| Tfus | 257.70 | K | Relay (1.0) Calculated Property |
| Vc | 1.189 | m3/kmol | Relay (1.0) Calculated Property |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [462.12; 1067.90] | 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 | 3.38440e+01 | |||
| Coefficient B | 1.80016e+00 | |||
| Coefficient C | -8.78200e-04 | |||
| Coefficient D | 1.12100e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 462.12 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 565.75 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 659.47 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 743.65 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 818.62 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 884.75 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 942.38 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 991.89 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 1033.61 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 1067.90 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0019705; 0.0000725] | Pa×s | [384.82; 665.87] |
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 | -1.40537e+01 | |||
| Coefficient B | 3.01090e+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. | 384.82 | |||
| Temperature range, max. | 665.87 | |||
| η | 0.0019705 | Pa×s | 384.82 | Calculated Property |
| η | 0.0010953 | Pa×s | 416.05 | Calculated Property |
| η | 0.0006608 | Pa×s | 447.27 | Calculated Property |
| η | 0.0004259 | Pa×s | 478.50 | Calculated Property |
| η | 0.0002897 | Pa×s | 509.73 | Calculated Property |
| η | 0.0002060 | Pa×s | 540.96 | Calculated Property |
| η | 0.0001520 | Pa×s | 572.18 | Calculated Property |
| η | 0.0001158 | Pa×s | 603.41 | Calculated Property |
| η | 0.0000906 | Pa×s | 634.64 | Calculated Property |
| η | 0.0000725 | Pa×s | 665.87 | Calculated Property |
Similar Compounds
Find more compounds similar to Pimelic acid, octyl 3-methylbutyl ester.
Sources
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