- InChI
- InChI=1S/C14H26O3/c1-3-5-7-8-9-10-11-13-17-14(15)16-12-6-4-2/h4H,2-3,5-13H2,1H3
- InChI Key
- NPPGNAIAAKJKTF-UHFFFAOYSA-N
- Formula
- C14H26O3
- SMILES
- C=CCCOC(=O)OCCCCCCCCC
- Molecular Weight1
- 242.36
- 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 | 0.7690 | Relay (1.0) Calculated Property | |
| ΔfG° | -260.53 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -706.09 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 36.29 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 81.97 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.72 | eV | Relay (1.0) Calculated Property |
| log10WS | -4.57 | Relay (1.0) Calculated Property | |
| logPoct/wat | 4.466 | Crippen Calculated Property | |
| McVol | 217.130 | ml/mol | McGowan Calculated Property |
| Pc | 1559.81 | kPa | Joback Calculated Property |
| Inp | [1629.00; 1629.00] |
|
|
| Inp | 1629.00 | NIST | |
| Inp | 1629.00 | NIST | |
| Tboil | 558.88 | K | Relay (1.0) Calculated Property |
| Tc | 704.32 | K | Relay (1.0) Calculated Property |
| Tfus | 227.21 | K | Relay (1.0) Calculated Property |
| Vc | 0.826 | m3/kmol | Relay (1.0) Calculated Property |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [324.41; 739.70] | 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 | 3.80800e+01 | |||
| Coefficient B | 1.19582e+00 | |||
| Coefficient C | -5.55100e-04 | |||
| Coefficient D | 6.09000e-08 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 324.41 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 394.36 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 457.90 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 515.24 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 566.57 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 612.07 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 651.94 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 686.37 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 715.56 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 739.70 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0028333; 0.0001702] | Pa×s | [310.34; 535.58] |
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 | -1.25536e+01 | |||
| Coefficient B | 2.07533e+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. | 310.34 | |||
| Temperature range, max. | 535.58 | |||
| η | 0.0028333 | Pa×s | 310.34 | Calculated Property |
| η | 0.0017202 | Pa×s | 335.37 | Calculated Property |
| η | 0.0011193 | Pa×s | 360.39 | Calculated Property |
| η | 0.0007701 | Pa×s | 385.42 | Calculated Property |
| η | 0.0005546 | Pa×s | 410.45 | Calculated Property |
| η | 0.0004147 | Pa×s | 435.47 | Calculated Property |
| η | 0.0003201 | Pa×s | 460.50 | Calculated Property |
| η | 0.0002537 | Pa×s | 485.53 | Calculated Property |
| η | 0.0002058 | Pa×s | 510.55 | Calculated Property |
| η | 0.0001702 | Pa×s | 535.58 | Calculated Property |
Similar Compounds
Find more compounds similar to Carbonic acid, but-3-en-1-yl nonyl ester.
Sources
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