- InChI
- InChI=1S/C18H34O3/c1-3-5-7-8-9-10-11-12-13-14-15-17-21-18(19)20-16-6-4-2/h4H,2-3,5-17H2,1H3
- InChI Key
- FFMYCKRHAJEDDC-UHFFFAOYSA-N
- Formula
- C18H34O3
- SMILES
- C=CCCOC(=O)OCCCCCCCCCCCCC
- Molecular Weight1
- 298.47
- 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 | 0.9125 | Relay (1.0) Calculated Property | |
| ΔfG° | -226.85 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -791.20 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 46.65 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 98.93 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.79 | eV | Relay (1.0) Calculated Property |
| log10WS | -5.91 | Relay (1.0) Calculated Property | |
| logPoct/wat | 6.027 | Crippen Calculated Property | |
| McVol | 273.490 | ml/mol | McGowan Calculated Property |
| Pc | 1176.05 | kPa | Joback Calculated Property |
| Inp | [2019.00; 2019.00] |
|
|
| Inp | 2019.00 | NIST | |
| Inp | 2019.00 | NIST | |
| Tboil | 609.77 | K | Relay (1.0) Calculated Property |
| Tc | 750.34 | K | Relay (1.0) Calculated Property |
| Tfus | 253.96 | K | Relay (1.0) Calculated Property |
| Vc | 1.047 | m3/kmol | Relay (1.0) Calculated Property |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [409.26; 946.06] | 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 | 3.44440e+01 | |||
| Coefficient B | 1.57582e+00 | |||
| Coefficient C | -7.72700e-04 | |||
| Coefficient D | 1.08500e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 409.26 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 500.03 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 582.21 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 656.16 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 722.21 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 780.71 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 832.01 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 876.43 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 914.34 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 946.06 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0019449; 0.0001169] | Pa×s | [355.42; 599.93] |
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 | -1.31413e+01 | |||
| Coefficient B | 2.45197e+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. | 355.42 | |||
| Temperature range, max. | 599.93 | |||
| η | 0.0019449 | Pa×s | 355.42 | Calculated Property |
| η | 0.0011916 | Pa×s | 382.59 | Calculated Property |
| η | 0.0007791 | Pa×s | 409.76 | Calculated Property |
| η | 0.0005370 | Pa×s | 436.92 | Calculated Property |
| η | 0.0003867 | Pa×s | 464.09 | Calculated Property |
| η | 0.0002887 | Pa×s | 491.26 | Calculated Property |
| η | 0.0002223 | Pa×s | 518.43 | Calculated Property |
| η | 0.0001756 | Pa×s | 545.59 | Calculated Property |
| η | 0.0001419 | Pa×s | 572.76 | Calculated Property |
| η | 0.0001169 | Pa×s | 599.93 | Calculated Property |
Similar Compounds
Find more compounds similar to Carbonic acid, but-3-en-1-yl tridecyl ester.
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