- InChI
- InChI=1S/C20H38O3/c1-3-5-7-8-9-10-11-12-13-14-15-16-17-19-23-20(21)22-18-6-4-2/h4H,2-3,5-19H2,1H3
- InChI Key
- RLDBHLGVCSHTCE-UHFFFAOYSA-N
- Formula
- C20H38O3
- SMILES
- C=CCCOC(=O)OCCCCCCCCCCCCCCC
- Molecular Weight1
- 326.52
- 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 | 0.9826 | Relay (1.0) Calculated Property | |
| ΔfG° | -210.01 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -833.37 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 51.83 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 107.31 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.84 | eV | Relay (1.0) Calculated Property |
| log10WS | -6.59 | Relay (1.0) Calculated Property | |
| logPoct/wat | 6.807 | Crippen Calculated Property | |
| McVol | 301.670 | ml/mol | McGowan Calculated Property |
| Pc | 1035.23 | kPa | Joback Calculated Property |
| Inp | [2219.00; 2219.00] |
|
|
| Inp | 2219.00 | NIST | |
| Inp | 2219.00 | NIST | |
| Tboil | 627.86 | K | Relay (1.0) Calculated Property |
| Tc | 769.31 | K | Relay (1.0) Calculated Property |
| Tfus | 264.70 | K | Relay (1.0) Calculated Property |
| Vc | 1.159 | m3/kmol | Relay (1.0) Calculated Property |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [451.69; 1049.25] | 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 | 3.26260e+01 | |||
| Coefficient B | 1.76582e+00 | |||
| Coefficient C | -8.81500e-04 | |||
| Coefficient D | 1.32300e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 451.69 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 552.86 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 644.37 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 726.62 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 800.04 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 865.04 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 922.04 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 971.46 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 1013.73 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 1049.25 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0015587; 0.0000928] | Pa×s | [377.96; 634.07] |
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 | -1.34495e+01 | |||
| Coefficient B | 2.64029e+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. | 377.96 | |||
| Temperature range, max. | 634.07 | |||
| η | 0.0015587 | Pa×s | 377.96 | Calculated Property |
| η | 0.0009558 | Pa×s | 406.42 | Calculated Property |
| η | 0.0006248 | Pa×s | 434.87 | Calculated Property |
| η | 0.0004303 | Pa×s | 463.33 | Calculated Property |
| η | 0.0003094 | Pa×s | 491.79 | Calculated Property |
| η | 0.0002307 | Pa×s | 520.24 | Calculated Property |
| η | 0.0001773 | Pa×s | 548.70 | Calculated Property |
| η | 0.0001399 | Pa×s | 577.16 | Calculated Property |
| η | 0.0001128 | Pa×s | 605.61 | Calculated Property |
| η | 0.0000928 | Pa×s | 634.07 | Calculated Property |
Similar Compounds
Find more compounds similar to Carbonic acid, but-3-en-1-yl pentadecyl ester.
Sources
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