- InChI
- InChI=1S/C29H58O3/c1-3-5-7-9-11-13-14-15-16-17-18-19-20-22-24-26-28-32-29(30)31-27-25-23-21-12-10-8-6-4-2/h3-28H2,1-2H3
- InChI Key
- WQCRQTBXYVCRPB-UHFFFAOYSA-N
- Formula
- C29H58O3
- SMILES
-
CCCCCCCCCCCCCCCCCCOC(=O)OCCCCC
CCCCC - Molecular Weight1
- 454.77
- 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 | 1.3469 | Relay (1.0) Calculated Property | |
| ΔfG° | -222.07 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -1115.00 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 76.42 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 145.95 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 10.21 | eV | Relay (1.0) Calculated Property |
| log10WS | -9.56 | Relay (1.0) Calculated Property | |
| logPoct/wat | 10.542 | Crippen Calculated Property | |
| McVol | 432.780 | ml/mol | McGowan Calculated Property |
| Pc | 620.65 | kPa | Joback Calculated Property |
| Inp | [3115.00; 3115.00] |
|
|
| Inp | 3115.00 | NIST | |
| Inp | 3115.00 | NIST | |
| Tboil | 664.67 | K | Relay (1.0) Calculated Property |
| Tc | 826.76 | K | Relay (1.0) Calculated Property |
| Tfus | 308.82 | K | Relay (1.0) Calculated Property |
| Vc | 1.714 | m3/kmol | Relay (1.0) Calculated Property |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [652.42; 1542.08] | 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 | 2.74360e+01 | |||
| Coefficient B | 2.64084e+00 | |||
| Coefficient C | -1.34820e-03 | |||
| Coefficient D | 2.22000e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 652.42 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 802.80 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 938.65 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 1060.69 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 1169.61 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 1266.13 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 1350.92 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 1424.71 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 1488.20 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 1542.08 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0004704; 0.0000223] | Pa×s | [481.15; 819.23] |
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 | -1.50462e+01 | |||
| Coefficient B | 3.55289e+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. | 481.15 | |||
| Temperature range, max. | 819.23 | |||
| η | 0.0004704 | Pa×s | 481.15 | Calculated Property |
| η | 0.0002755 | Pa×s | 518.71 | Calculated Property |
| η | 0.0001735 | Pa×s | 556.28 | Calculated Property |
| η | 0.0001158 | Pa×s | 593.84 | Calculated Property |
| η | 0.0000811 | Pa×s | 631.41 | Calculated Property |
| η | 0.0000592 | Pa×s | 668.97 | Calculated Property |
| η | 0.0000446 | Pa×s | 706.54 | Calculated Property |
| η | 0.0000346 | Pa×s | 744.10 | Calculated Property |
| η | 0.0000275 | Pa×s | 781.67 | Calculated Property |
| η | 0.0000223 | Pa×s | 819.23 | Calculated Property |
Similar Compounds
Find more compounds similar to Carbonic acid, decyl octadecyl ester.
Sources
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