- InChI
- InChI=1S/C19H36O3/c1-3-5-7-8-9-10-11-12-13-14-15-16-18-22-19(20)21-17-6-4-2/h4H,2-3,5-18H2,1H3
- InChI Key
- NHTHEFJZSMRTHM-UHFFFAOYSA-N
- Formula
- C19H36O3
- SMILES
- C=CCCOC(=O)OCCCCCCCCCCCCCC
- Molecular Weight1
- 312.49
- 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 | 0.9475 | Relay (1.0) Calculated Property | |
| ΔfG° | -218.43 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -812.34 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 49.24 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 103.14 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.81 | eV | Relay (1.0) Calculated Property |
| log10WS | -6.25 | Relay (1.0) Calculated Property | |
| logPoct/wat | 6.417 | Crippen Calculated Property | |
| McVol | 287.580 | ml/mol | McGowan Calculated Property |
| Pc | 1102.28 | kPa | Joback Calculated Property |
| Inp | [2122.00; 2122.00] |
|
|
| Inp | 2122.00 | NIST | |
| Inp | 2122.00 | NIST | |
| Tboil | 619.41 | K | Relay (1.0) Calculated Property |
| Tc | 760.11 | K | Relay (1.0) Calculated Property |
| Tfus | 259.66 | K | Relay (1.0) Calculated Property |
| Vc | 1.103 | m3/kmol | Relay (1.0) Calculated Property |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [430.48; 997.65] | 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 | 3.35350e+01 | |||
| Coefficient B | 1.67082e+00 | |||
| Coefficient C | -8.27100e-04 | |||
| Coefficient D | 1.20400e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 430.48 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 526.45 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 613.29 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 691.39 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 761.12 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 822.88 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 877.02 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 923.95 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 964.03 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 997.65 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0017452; 0.0001045] | Pa×s | [366.69; 616.80] |
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 | -1.32944e+01 | |||
| Coefficient B | 2.54613e+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. | 366.69 | |||
| Temperature range, max. | 616.80 | |||
| η | 0.0017452 | Pa×s | 366.69 | Calculated Property |
| η | 0.0010701 | Pa×s | 394.48 | Calculated Property |
| η | 0.0006997 | Pa×s | 422.27 | Calculated Property |
| η | 0.0004822 | Pa×s | 450.06 | Calculated Property |
| η | 0.0003470 | Pa×s | 477.85 | Calculated Property |
| η | 0.0002589 | Pa×s | 505.64 | Calculated Property |
| η | 0.0001992 | Pa×s | 533.43 | Calculated Property |
| η | 0.0001573 | Pa×s | 561.22 | Calculated Property |
| η | 0.0001270 | Pa×s | 589.01 | Calculated Property |
| η | 0.0001045 | Pa×s | 616.80 | Calculated Property |
Similar Compounds
Find more compounds similar to Carbonic acid, but-3-en-1-yl tetradecyl ester.
Sources
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