- InChI
- InChI=1S/C37H76O/c1-3-5-7-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28-29-30-31-33-35-37-38-36-34-32-8-6-4-2/h3-37H2,1-2H3
- InChI Key
- PMRCTAFTBKHUQL-UHFFFAOYSA-N
- Formula
- C37H76O
- SMILES
-
CCCCCCCCCCCCCCCCCCCCCCCCCCCCCC
OCCCCCCC - Molecular Weight1
- 537.00
- 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 | 1.5175 | Relay (1.0) Calculated Property | |
| ΔfG° | 155.66 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -936.34 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 92.77 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 183.04 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 10.11 | eV | Relay (1.0) Calculated Property |
| log10WS | -12.17 | Relay (1.0) Calculated Property | |
| logPoct/wat | 13.916 | Crippen Calculated Property | |
| McVol | 538.060 | ml/mol | McGowan Calculated Property |
| Pc | 436.39 | kPa | Joback Calculated Property |
| Inp | [3754.00; 3754.00] |
|
|
| Inp | 3754.00 | NIST | |
| Inp | 3754.00 | NIST | |
| Tboil | 690.59 | K | Relay (1.0) Calculated Property |
| Tc | 867.66 | K | Relay (1.0) Calculated Property |
| Tfus | 317.84 | K | Relay (1.0) Calculated Property |
| Vc | 2.128 | m3/kmol | Relay (1.0) Calculated Property |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [805.79; 1946.69] | 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 | -5.24500e+00 | |||
| Coefficient B | 3.45564e+00 | |||
| Coefficient C | -1.87800e-03 | |||
| Coefficient D | 3.74300e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 805.79 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 998.81 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 1172.50 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 1328.05 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 1466.64 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 1589.46 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 1697.70 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 1792.52 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 1875.13 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 1946.69 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0002482; 0.0000084] | Pa×s | [528.98; 975.71] |
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 | -1.57050e+01 | |||
| Coefficient B | 3.91645e+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. | 528.98 | |||
| Temperature range, max. | 975.71 | |||
| η | 0.0002482 | Pa×s | 528.98 | Calculated Property |
| η | 0.0001315 | Pa×s | 578.62 | Calculated Property |
| η | 0.0000770 | Pa×s | 628.25 | Calculated Property |
| η | 0.0000488 | Pa×s | 677.89 | Calculated Property |
| η | 0.0000329 | Pa×s | 727.53 | Calculated Property |
| η | 0.0000233 | Pa×s | 777.16 | Calculated Property |
| η | 0.0000172 | Pa×s | 826.80 | Calculated Property |
| η | 0.0000132 | Pa×s | 876.43 | Calculated Property |
| η | 0.0000104 | Pa×s | 926.07 | Calculated Property |
| η | 0.0000084 | Pa×s | 975.71 | Calculated Property |
Similar Compounds
Find more compounds similar to Heptyl triacontyl ether.
Sources
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