- InChI
- InChI=1S/C25H48O3/c1-3-5-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-24-28-25(26)27-23-6-4-2/h4H,2-3,5-24H2,1H3
- InChI Key
- UFWMGBPQKPMGKI-UHFFFAOYSA-N
- Formula
- C25H48O3
- SMILES
-
C=CCCOC(=O)OCCCCCCCCCCCCCCCCCC
CC - Molecular Weight1
- 396.66
- 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 | 1.1579 | Relay (1.0) Calculated Property | |
| ΔfG° | -167.91 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -935.78 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 64.78 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 127.79 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.99 | eV | Relay (1.0) Calculated Property |
| log10WS | -8.18 | Relay (1.0) Calculated Property | |
| logPoct/wat | 8.757 | Crippen Calculated Property | |
| McVol | 372.120 | ml/mol | McGowan Calculated Property |
| Pc | 776.77 | kPa | Joback Calculated Property |
| Inp | [2710.00; 2710.00] |
|
|
| Inp | 2710.00 | NIST | |
| Inp | 2710.00 | NIST | |
| Tboil | 663.17 | K | Relay (1.0) Calculated Property |
| Tc | 807.93 | K | Relay (1.0) Calculated Property |
| Tfus | 285.58 | K | Relay (1.0) Calculated Property |
| Vc | 1.438 | m3/kmol | Relay (1.0) Calculated Property |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [557.76; 1307.20] | 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 | 2.80810e+01 | |||
| Coefficient B | 2.24082e+00 | |||
| Coefficient C | -1.15350e-03 | |||
| Coefficient D | 1.91800e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 557.76 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 684.96 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 799.76 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 902.77 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 994.59 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 1075.84 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 1147.12 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 1209.04 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 1262.19 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 1307.20 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0008362; 0.0000465] | Pa×s | [434.31; 727.80] |
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 | -1.42499e+01 | |||
| Coefficient B | 3.11109e+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. | 434.31 | |||
| Temperature range, max. | 727.80 | |||
| η | 0.0008362 | Pa×s | 434.31 | Calculated Property |
| η | 0.0005070 | Pa×s | 466.92 | Calculated Property |
| η | 0.0003282 | Pa×s | 499.53 | Calculated Property |
| η | 0.0002241 | Pa×s | 532.14 | Calculated Property |
| η | 0.0001599 | Pa×s | 564.75 | Calculated Property |
| η | 0.0001184 | Pa×s | 597.36 | Calculated Property |
| η | 0.0000904 | Pa×s | 629.97 | Calculated Property |
| η | 0.0000709 | Pa×s | 662.58 | Calculated Property |
| η | 0.0000569 | Pa×s | 695.19 | Calculated Property |
| η | 0.0000465 | Pa×s | 727.80 | Calculated Property |
Similar Compounds
Find more compounds similar to Carbonic acid, but-3-en-1-yl eicosyl ester.
Sources
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