- InChI
- InChI=1S/C18H34O4/c1-3-5-7-11-15-21-17(19)13-9-10-14-18(20)22-16-12-8-6-4-2/h3-16H2,1-2H3
- InChI Key
- HHECSPXBQJHZAF-UHFFFAOYSA-N
- Formula
- C18H34O4
- SMILES
- CCCCCCOC(=O)CCCCC(=O)OCCCCCC
- Molecular Weight1
- 314.46
- CAS
- 110-33-8
- Other Names
-
- Adimoll DH
- Adipic acid, dihexyl ester
- Di-n-hexyl adipate
- Dihexyl adipate
- Dihexyl hexanedioate
- 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).
- ΔvapH : Enthalpy of vaporization at a given temperature (kJ/mol).
- 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).
- Pvap : Vapor 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 |
|---|---|---|---|
| ΔfG° | -367.16 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -904.45 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 47.95 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 73.97 | kJ/mol | Joback Calculated Property |
| log10WS | -5.08 | Crippen Calculated Property | |
| logPoct/wat | 4.794 | Crippen Calculated Property | |
| McVol | 279.360 | ml/mol | McGowan Calculated Property |
| Pc | 1227.70 | kPa | Joback Calculated Property |
| Inp | [2113.00; 2140.00] |
|
|
| Inp | 2140.00 | NIST | |
| Inp | 2113.00 | NIST | |
| Inp | 2140.00 | NIST | |
| Inp | 2113.00 | NIST | |
| Tboil | 763.82 | K | Joback Calculated Property |
| Tc | 942.53 | K | Joback Calculated Property |
| Tfus | 436.94 | K | Joback Calculated Property |
| Vc | 1.091 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [849.49; 940.44] | J/mol×K | [763.82; 942.53] |
|
| Cp,gas | 849.49 | J/mol×K | 763.82 | Joback Calculated Property |
| Cp,gas | 866.90 | J/mol×K | 793.61 | Joback Calculated Property |
| Cp,gas | 883.40 | J/mol×K | 823.39 | Joback Calculated Property |
| Cp,gas | 898.98 | J/mol×K | 853.18 | Joback Calculated Property |
| Cp,gas | 913.68 | J/mol×K | 882.96 | Joback Calculated Property |
| Cp,gas | 927.49 | J/mol×K | 912.75 | Joback Calculated Property |
| Cp,gas | 940.44 | J/mol×K | 942.53 | Joback Calculated Property |
| η | [0.0000707; 0.0010365] | Pa×s | [436.94; 763.82] |
|
| η | 0.0010365 | Pa×s | 436.94 | Joback Calculated Property |
| η | 0.0005169 | Pa×s | 491.42 | Joback Calculated Property |
| η | 0.0002962 | Pa×s | 545.90 | Joback Calculated Property |
| η | 0.0001878 | Pa×s | 600.38 | Joback Calculated Property |
| η | 0.0001284 | Pa×s | 654.86 | Joback Calculated Property |
| η | 0.0000931 | Pa×s | 709.34 | Joback Calculated Property |
| η | 0.0000707 | Pa×s | 763.82 | Joback Calculated Property |
| ΔvapH | 80.40 | kJ/mol | 532.50 | NIST |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Pvap | [1.33; 202.65] | kPa | [480.17; 688.50] |
The Yaw...
|
| Equation | ln(Pvp) = A + B/(T + C) | |||
| Coefficient A | 1.45922e+01 | |||
| Coefficient B | -5.50523e+03 | |||
| Coefficient C | -9.53100e+01 | |||
| Temperature range, min. | 480.17 | |||
| Temperature range, max. | 688.50 | |||
| Pvap | 1.33 | kPa | 480.17 | Calculated Property |
| Pvap | 3.00 | kPa | 503.32 | Calculated Property |
| Pvap | 6.19 | kPa | 526.47 | Calculated Property |
| Pvap | 11.87 | kPa | 549.61 | Calculated Property |
| Pvap | 21.36 | kPa | 572.76 | Calculated Property |
| Pvap | 36.41 | kPa | 595.91 | Calculated Property |
| Pvap | 59.20 | kPa | 619.06 | Calculated Property |
| Pvap | 92.38 | kPa | 642.20 | Calculated Property |
| Pvap | 139.02 | kPa | 665.35 | Calculated Property |
| Pvap | 202.65 | kPa | 688.50 | Calculated Property |
Similar Compounds
Find more compounds similar to Hexanedioic acid, dihexyl ester.
Sources
- Crippen Method
- Crippen Method
- Joback Method
- McGowan Method
- NIST Webbook
- The Yaws Handbook of Vapor Pressure
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