- InChI
- InChI=1S/C27H52N2O5/c1-3-33-25(30)21-17-13-9-5-7-11-15-19-23-28-27(32)29-24-20-16-12-8-6-10-14-18-22-26(31)34-4-2/h3-24H2,1-2H3,(H2,28,29,32)
- InChI Key
- APDVHPWUNQTZIL-UHFFFAOYSA-N
- Formula
- C27H52N2O5
- SMILES
-
CCOC(=O)CCCCCCCCCCNC(=O)NCCCCC
CCCCCC(=O)OCC - Molecular Weight1
- 484.72
- ω : Acentric Factor.
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- 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).
- 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 | 1.4271 | Relay (1.0) Calculated Property | |
| ΔfG° | -394.42 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -1340.87 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 86.22 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 152.03 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.76 | eV | Relay (1.0) Calculated Property |
| log10WS | -5.98 | Relay (1.0) Calculated Property | |
| logPoct/wat | 6.434 | Crippen Calculated Property | |
| McVol | 427.700 | ml/mol | McGowan Calculated Property |
| Pc | 726.14 | kPa | Joback Calculated Property |
| Tboil | 692.32 | K | Relay (1.0) Calculated Property |
| Tc | 909.15 | K | Relay (1.0) Calculated Property |
| Tfus | 375.81 | K | Relay (1.0) Calculated Property |
| Vc | 1.626 | m3/kmol | Relay (1.0) Calculated Property |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [644.22; 1491.30] | 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 | 3.41020e+01 | |||
| Coefficient B | 2.58364e+00 | |||
| Coefficient C | -1.33430e-03 | |||
| Coefficient D | 2.07860e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 644.22 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 790.34 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 921.93 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 1039.64 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 1144.13 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 1236.06 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 1316.08 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 1384.86 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 1443.05 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 1491.30 | J/mol×K | 1000.00 | Calculated Property |
Similar Compounds
Find more compounds similar to 1,3-Di-(10-carbethoxydecyl) urea.
Sources
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