- InChI
- InChI=1S/C15H28O3/c1-3-5-7-8-9-10-11-12-14-18-15(16)17-13-6-4-2/h4H,2-3,5-14H2,1H3
- InChI Key
- FPKFUUOVPXTFBY-UHFFFAOYSA-N
- Formula
- C15H28O3
- SMILES
- C=CCCOC(=O)OCCCCCCCCCC
- Molecular Weight1
- 256.39
- 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 | 0.8056 | Relay (1.0) Calculated Property | |
| ΔfG° | -252.11 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -727.01 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 38.88 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 86.22 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.73 | eV | Relay (1.0) Calculated Property |
| log10WS | -4.90 | Relay (1.0) Calculated Property | |
| logPoct/wat | 4.856 | Crippen Calculated Property | |
| McVol | 231.220 | ml/mol | McGowan Calculated Property |
| Pc | 1447.94 | kPa | Joback Calculated Property |
| Inp | [1723.00; 1723.00] |
|
|
| Inp | 1723.00 | NIST | |
| Inp | 1723.00 | NIST | |
| Tboil | 573.24 | K | Relay (1.0) Calculated Property |
| Tc | 716.80 | K | Relay (1.0) Calculated Property |
| Tfus | 234.34 | K | Relay (1.0) Calculated Property |
| Vc | 0.881 | m3/kmol | Relay (1.0) Calculated Property |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [345.62; 791.29] | 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 | 3.71710e+01 | |||
| Coefficient B | 1.29082e+00 | |||
| Coefficient C | -6.09500e-04 | |||
| Coefficient D | 7.28000e-08 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 345.62 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 420.77 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 488.98 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 550.47 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 605.48 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 654.23 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 696.96 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 733.89 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 765.26 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 791.29 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0026043; 0.0001567] | Pa×s | [321.61; 551.27] |
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 | -1.26963e+01 | |||
| Coefficient B | 2.16949e+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. | 321.61 | |||
| Temperature range, max. | 551.27 | |||
| η | 0.0026043 | Pa×s | 321.61 | Calculated Property |
| η | 0.0015861 | Pa×s | 347.13 | Calculated Property |
| η | 0.0010339 | Pa×s | 372.65 | Calculated Property |
| η | 0.0007119 | Pa×s | 398.16 | Calculated Property |
| η | 0.0005127 | Pa×s | 423.68 | Calculated Property |
| η | 0.0003833 | Pa×s | 449.20 | Calculated Property |
| η | 0.0002957 | Pa×s | 474.72 | Calculated Property |
| η | 0.0002342 | Pa×s | 500.23 | Calculated Property |
| η | 0.0001897 | Pa×s | 525.75 | Calculated Property |
| η | 0.0001567 | Pa×s | 551.27 | Calculated Property |
Similar Compounds
Find more compounds similar to Carbonic acid, but-3-en-1-yl decyl ester.
Sources
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