- InChI
- InChI=1S/C16H30O3/c1-3-5-7-8-9-10-11-12-13-15-19-16(17)18-14-6-4-2/h4H,2-3,5-15H2,1H3
- InChI Key
- NICBOLAIDRXZLQ-UHFFFAOYSA-N
- Formula
- C16H30O3
- SMILES
- C=CCCOC(=O)OCCCCCCCCCCC
- Molecular Weight1
- 270.41
- 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 | 0.8415 | Relay (1.0) Calculated Property | |
| ΔfG° | -243.69 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -748.27 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 41.47 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 90.42 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.75 | eV | Relay (1.0) Calculated Property |
| log10WS | -5.23 | Relay (1.0) Calculated Property | |
| logPoct/wat | 5.247 | Crippen Calculated Property | |
| McVol | 245.310 | ml/mol | McGowan Calculated Property |
| Pc | 1347.68 | kPa | Joback Calculated Property |
| Inp | [1823.00; 1823.00] |
|
|
| Inp | 1823.00 | NIST | |
| Inp | 1823.00 | NIST | |
| Tboil | 586.57 | K | Relay (1.0) Calculated Property |
| Tc | 728.55 | K | Relay (1.0) Calculated Property |
| Tfus | 241.15 | K | Relay (1.0) Calculated Property |
| Vc | 0.936 | m3/kmol | Relay (1.0) Calculated Property |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [366.83; 842.88] | 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 | 3.62620e+01 | |||
| Coefficient B | 1.38582e+00 | |||
| Coefficient C | -6.63900e-04 | |||
| Coefficient D | 8.47000e-08 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 366.83 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 447.19 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 520.06 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 585.70 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 644.39 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 696.39 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 741.97 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 781.40 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 814.95 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 842.88 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0023772; 0.0001432] | Pa×s | [332.88; 567.20] |
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 | -1.28420e+01 | |||
| Coefficient B | 2.26365e+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. | 332.88 | |||
| Temperature range, max. | 567.20 | |||
| η | 0.0023772 | Pa×s | 332.88 | Calculated Property |
| η | 0.0014515 | Pa×s | 358.92 | Calculated Property |
| η | 0.0009475 | Pa×s | 384.95 | Calculated Property |
| η | 0.0006528 | Pa×s | 410.99 | Calculated Property |
| η | 0.0004702 | Pa×s | 437.02 | Calculated Property |
| η | 0.0003514 | Pa×s | 463.06 | Calculated Property |
| η | 0.0002709 | Pa×s | 489.09 | Calculated Property |
| η | 0.0002144 | Pa×s | 515.13 | Calculated Property |
| η | 0.0001735 | Pa×s | 541.16 | Calculated Property |
| η | 0.0001432 | Pa×s | 567.20 | Calculated Property |
Similar Compounds
Find more compounds similar to Carbonic acid, but-3-en-1-yl undecyl ester.
Sources
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