- InChI
- InChI=1S/C21H40O3/c1-3-5-7-8-9-10-11-12-13-14-15-16-17-18-20-24-21(22)23-19-6-4-2/h4H,2-3,5-20H2,1H3
- InChI Key
- OTRORGODLHWRCP-UHFFFAOYSA-N
- Formula
- C21H40O3
- SMILES
- C=CCCOC(=O)OCCCCCCCCCCCCCCCC
- Molecular Weight1
- 340.54
- 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 | 1.0177 | Relay (1.0) Calculated Property | |
| ΔfG° | -201.59 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -854.11 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 54.42 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 111.44 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.87 | eV | Relay (1.0) Calculated Property |
| log10WS | -6.92 | Relay (1.0) Calculated Property | |
| logPoct/wat | 7.197 | Crippen Calculated Property | |
| McVol | 315.760 | ml/mol | McGowan Calculated Property |
| Pc | 974.13 | kPa | Joback Calculated Property |
| Inp | [2317.00; 2317.00] |
|
|
| Inp | 2317.00 | NIST | |
| Inp | 2317.00 | NIST | |
| Tboil | 635.63 | K | Relay (1.0) Calculated Property |
| Tc | 777.94 | K | Relay (1.0) Calculated Property |
| Tfus | 269.49 | K | Relay (1.0) Calculated Property |
| Vc | 1.215 | m3/kmol | Relay (1.0) Calculated Property |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [472.90; 1100.84] | 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 | 3.17170e+01 | |||
| Coefficient B | 1.86082e+00 | |||
| Coefficient C | -9.35900e-04 | |||
| Coefficient D | 1.44200e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 472.90 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 579.28 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 675.45 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 761.85 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 838.95 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 907.20 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 967.06 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 1018.98 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 1063.42 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 1100.84 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0013862; 0.0000818] | Pa×s | [389.23; 651.77] |
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 | -1.36064e+01 | |||
| Coefficient B | 2.73445e+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. | 389.23 | |||
| Temperature range, max. | 651.77 | |||
| η | 0.0013862 | Pa×s | 389.23 | Calculated Property |
| η | 0.0008494 | Pa×s | 418.40 | Calculated Property |
| η | 0.0005548 | Pa×s | 447.57 | Calculated Property |
| η | 0.0003817 | Pa×s | 476.74 | Calculated Property |
| η | 0.0002742 | Pa×s | 505.92 | Calculated Property |
| η | 0.0002043 | Pa×s | 535.09 | Calculated Property |
| η | 0.0001568 | Pa×s | 564.26 | Calculated Property |
| η | 0.0001236 | Pa×s | 593.43 | Calculated Property |
| η | 0.0000996 | Pa×s | 622.60 | Calculated Property |
| η | 0.0000818 | Pa×s | 651.77 | Calculated Property |
Similar Compounds
Find more compounds similar to Carbonic acid, but-3-en-1-yl hexadecyl ester.
Sources
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