- InChI
- InChI=1S/C23H44O3/c1-3-5-7-8-9-10-11-12-13-14-15-16-17-18-19-20-22-26-23(24)25-21-6-4-2/h4H,2-3,5-22H2,1H3
- InChI Key
- MUUACHUKCGMDHF-UHFFFAOYSA-N
- Formula
- C23H44O3
- SMILES
- C=CCCOC(=O)OCCCCCCCCCCCCCCCCCC
- Molecular Weight1
- 368.60
- 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 | 1.0878 | Relay (1.0) Calculated Property | |
| ΔfG° | -184.75 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -894.74 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 59.60 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 119.60 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.93 | eV | Relay (1.0) Calculated Property |
| log10WS | -7.56 | Relay (1.0) Calculated Property | |
| logPoct/wat | 7.977 | Crippen Calculated Property | |
| McVol | 343.940 | ml/mol | McGowan Calculated Property |
| Pc | 867.09 | kPa | Joback Calculated Property |
| Inp | [2512.00; 2512.00] |
|
|
| Inp | 2512.00 | NIST | |
| Inp | 2512.00 | NIST | |
| Tboil | 649.77 | K | Relay (1.0) Calculated Property |
| Tc | 793.76 | K | Relay (1.0) Calculated Property |
| Tfus | 277.95 | K | Relay (1.0) Calculated Property |
| Vc | 1.327 | m3/kmol | Relay (1.0) Calculated Property |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [515.33; 1204.02] | 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 | 2.98990e+01 | |||
| Coefficient B | 2.05082e+00 | |||
| Coefficient C | -1.04470e-03 | |||
| Coefficient D | 1.68000e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 515.33 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 632.12 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 737.60 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 832.31 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 916.77 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 991.52 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 1057.09 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 1114.01 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 1162.81 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 1204.02 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0010839; 0.0000625] | Pa×s | [411.77; 688.65] |
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 | -1.39253e+01 | |||
| Coefficient B | 2.92277e+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. | 411.77 | |||
| Temperature range, max. | 688.65 | |||
| η | 0.0010839 | Pa×s | 411.77 | Calculated Property |
| η | 0.0006617 | Pa×s | 442.53 | Calculated Property |
| η | 0.0004308 | Pa×s | 473.30 | Calculated Property |
| η | 0.0002955 | Pa×s | 504.06 | Calculated Property |
| η | 0.0002117 | Pa×s | 534.83 | Calculated Property |
| η | 0.0001573 | Pa×s | 565.59 | Calculated Property |
| η | 0.0001205 | Pa×s | 596.36 | Calculated Property |
| η | 0.0000947 | Pa×s | 627.12 | Calculated Property |
| η | 0.0000762 | Pa×s | 657.88 | Calculated Property |
| η | 0.0000625 | Pa×s | 688.65 | Calculated Property |
Similar Compounds
Find more compounds similar to Carbonic acid, but-3-en-1-yl octadecyl ester.
Sources
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