- InChI
- InChI=1S/C17H32O3/c1-3-5-7-8-9-10-11-12-13-14-16-20-17(18)19-15-6-4-2/h4H,2-3,5-16H2,1H3
- InChI Key
- XMSNLFYAVWNTDG-UHFFFAOYSA-N
- Formula
- C17H32O3
- SMILES
- C=CCCOC(=O)OCCCCCCCCCCCC
- Molecular Weight1
- 284.44
- 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 | 0.8773 | Relay (1.0) Calculated Property | |
| ΔfG° | -235.27 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -769.73 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 44.06 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 94.69 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.77 | eV | Relay (1.0) Calculated Property |
| log10WS | -5.58 | Relay (1.0) Calculated Property | |
| logPoct/wat | 5.637 | Crippen Calculated Property | |
| McVol | 259.400 | ml/mol | McGowan Calculated Property |
| Pc | 1257.48 | kPa | Joback Calculated Property |
| Inp | [1919.00; 1919.00] |
|
|
| Inp | 1919.00 | NIST | |
| Inp | 1919.00 | NIST | |
| Tboil | 598.62 | K | Relay (1.0) Calculated Property |
| Tc | 739.67 | K | Relay (1.0) Calculated Property |
| Tfus | 247.74 | K | Relay (1.0) Calculated Property |
| Vc | 0.992 | m3/kmol | Relay (1.0) Calculated Property |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [388.05; 894.47] | 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 | 3.53530e+01 | |||
| Coefficient B | 1.48082e+00 | |||
| Coefficient C | -7.18300e-04 | |||
| Coefficient D | 9.66000e-08 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 388.05 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 473.61 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 551.14 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 620.93 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 683.30 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 738.55 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 786.99 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 828.92 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 864.64 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 894.47 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0021563; 0.0001299] | Pa×s | [344.15; 583.41] |
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 | -1.29905e+01 | |||
| Coefficient B | 2.35781e+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. | 344.15 | |||
| Temperature range, max. | 583.41 | |||
| η | 0.0021563 | Pa×s | 344.15 | Calculated Property |
| η | 0.0013193 | Pa×s | 370.73 | Calculated Property |
| η | 0.0008621 | Pa×s | 397.32 | Calculated Property |
| η | 0.0005942 | Pa×s | 423.90 | Calculated Property |
| η | 0.0004279 | Pa×s | 450.49 | Calculated Property |
| η | 0.0003197 | Pa×s | 477.07 | Calculated Property |
| η | 0.0002463 | Pa×s | 503.65 | Calculated Property |
| η | 0.0001948 | Pa×s | 530.24 | Calculated Property |
| η | 0.0001575 | Pa×s | 556.82 | Calculated Property |
| η | 0.0001299 | Pa×s | 583.41 | Calculated Property |
Similar Compounds
Find more compounds similar to Carbonic acid, but-3-en-1-yl dodecyl ester.
Sources
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