- InChI
- InChI=1S/C27H48O4/c1-2-3-4-5-6-7-8-9-15-21-30-26(28)24-18-13-14-19-25(24)27(29)31-22-20-23-16-11-10-12-17-23/h23-25H,2-22H2,1H3
- InChI Key
- GNSJGDZFWNZPSG-UHFFFAOYSA-N
- Formula
- C27H48O4
- SMILES
-
CCCCCCCCCCCOC(=O)C1CCCCC1C(=O)
OCCC1CCCCC1 - Molecular Weight1
- 436.67
- 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 | 1.0232 | Relay (1.0) Calculated Property | |
| ΔfG° | -403.09 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -1134.48 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 59.16 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 125.20 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.66 | eV | Relay (1.0) Calculated Property |
| log10WS | -7.27 | Relay (1.0) Calculated Property | |
| logPoct/wat | 7.380 | Crippen Calculated Property | |
| McVol | 384.450 | ml/mol | McGowan Calculated Property |
| Pc | 853.47 | kPa | Joback Calculated Property |
| Inp | [3129.00; 3129.00] |
|
|
| Inp | 3129.00 | NIST | |
| Inp | 3129.00 | NIST | |
| Tboil | 697.90 | K | Relay (1.0) Calculated Property |
| Tc | 921.96 | K | Relay (1.0) Calculated Property |
| Tfus | 309.00 | K | Relay (1.0) Calculated Property |
| Vc | 1.420 | m3/kmol | Relay (1.0) Calculated Property |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [536.96; 1405.31] | 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 | -9.61080e+01 | |||
| Coefficient B | 2.67692e+00 | |||
| Coefficient C | -1.36240e-03 | |||
| Coefficient D | 1.86900e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 536.96 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 688.69 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 825.23 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 947.17 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 1055.10 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 1149.61 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 1231.30 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 1300.75 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 1358.56 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 1405.31 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0007734; 0.0000366] | Pa×s | [489.23; 830.13] |
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 | -1.45908e+01 | |||
| Coefficient B | 3.63305e+03 | |||
| Coefficient C | 0.00000e+00 | |||
| Coefficient D | 0.00000e+00 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 489.23 | |||
| Temperature range, max. | 830.13 | |||
| η | 0.0007734 | Pa×s | 489.23 | Calculated Property |
| η | 0.0004536 | Pa×s | 527.11 | Calculated Property |
| η | 0.0002857 | Pa×s | 564.99 | Calculated Property |
| η | 0.0001908 | Pa×s | 602.86 | Calculated Property |
| η | 0.0001336 | Pa×s | 640.74 | Calculated Property |
| η | 0.0000973 | Pa×s | 678.62 | Calculated Property |
| η | 0.0000734 | Pa×s | 716.50 | Calculated Property |
| η | 0.0000569 | Pa×s | 754.37 | Calculated Property |
| η | 0.0000452 | Pa×s | 792.25 | Calculated Property |
| η | 0.0000366 | Pa×s | 830.13 | Calculated Property |
Similar Compounds
Find more compounds similar to 1,2-Cyclohexanedicarboxylic acid, 2-cyclohexylethyl undecyl ester.
Sources
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