- InChI
- InChI=1S/C27H54O3/c1-3-5-7-9-11-13-14-15-16-17-18-20-22-24-26-30-27(28)29-25-23-21-19-12-10-8-6-4-2/h3-26H2,1-2H3
- InChI Key
- MMJXTJZQLOLBPO-UHFFFAOYSA-N
- Formula
- C27H54O3
- SMILES
-
CCCCCCCCCCCCCCCCOC(=O)OCCCCCCC
CCC - Molecular Weight1
- 426.72
- 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 | 1.2768 | Relay (1.0) Calculated Property | |
| ΔfG° | -238.91 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -1074.03 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 71.24 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 137.86 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 10.14 | eV | Relay (1.0) Calculated Property |
| log10WS | -9.00 | Relay (1.0) Calculated Property | |
| logPoct/wat | 9.762 | Crippen Calculated Property | |
| McVol | 404.600 | ml/mol | McGowan Calculated Property |
| Pc | 684.57 | kPa | Joback Calculated Property |
| Inp | [2912.00; 2912.00] |
|
|
| Inp | 2912.00 | NIST | |
| Inp | 2912.00 | NIST | |
| Tboil | 652.05 | K | Relay (1.0) Calculated Property |
| Tc | 814.32 | K | Relay (1.0) Calculated Property |
| Tfus | 303.86 | K | Relay (1.0) Calculated Property |
| Vc | 1.604 | m3/kmol | Relay (1.0) Calculated Property |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [609.99; 1438.89] | 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 | 2.92540e+01 | |||
| Coefficient B | 2.45084e+00 | |||
| Coefficient C | -1.23940e-03 | |||
| Coefficient D | 1.98200e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 609.99 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 749.96 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 876.50 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 990.23 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 1091.79 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 1181.80 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 1260.89 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 1329.69 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 1388.81 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 1438.89 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0006265; 0.0000316] | Pa×s | [458.61; 773.49] |
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 | -1.47119e+01 | |||
| Coefficient B | 3.36457e+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. | 458.61 | |||
| Temperature range, max. | 773.49 | |||
| η | 0.0006265 | Pa×s | 458.61 | Calculated Property |
| η | 0.0003724 | Pa×s | 493.60 | Calculated Property |
| η | 0.0002372 | Pa×s | 528.58 | Calculated Property |
| η | 0.0001598 | Pa×s | 563.57 | Calculated Property |
| η | 0.0001127 | Pa×s | 598.55 | Calculated Property |
| η | 0.0000826 | Pa×s | 633.54 | Calculated Property |
| η | 0.0000626 | Pa×s | 668.53 | Calculated Property |
| η | 0.0000487 | Pa×s | 703.51 | Calculated Property |
| η | 0.0000388 | Pa×s | 738.50 | Calculated Property |
| η | 0.0000316 | Pa×s | 773.49 | Calculated Property |
Similar Compounds
Find more compounds similar to Carbonic acid, decyl hexadecyl ester.
Sources
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