- InChI
- InChI=1S/C30H50O4/c1-3-5-7-9-11-13-15-17-21-25-33-29(31)27-23-19-20-24-28(27)30(32)34-26-22-18-16-14-12-10-8-6-4-2/h19-20,23-24H,3-18,21-22,25-26H2,1-2H3
- InChI Key
- QQVHEQUEHCEAKS-UHFFFAOYSA-N
- Formula
- C30H50O4
- SMILES
-
CCCCCCCCCCCOC(=O)c1ccccc1C(=O)
OCCCCCCCCCCC - Molecular Weight1
- 474.72
- CAS
- 3648-20-2
- Other Names
-
- 1,2-Benzenedicarboxylic acid, 1,2-diundecyl ester
- DUP
- Di-n-undecyl phthalate
- Jayflex DUP
- Jayflex L 11P
- Phthalic acid, diundecyl ester
- diundecyl phthalate
- 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).
- Tboil : Normal Boiling Point Temperature (K).
- Tboilr : Boiling point at reduced pressure (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 | 1.3679 | Relay (1.0) Calculated Property | |
| ΔfG° | -163.34 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -1029.16 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 72.68 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 132.09 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.48 | eV | Relay (1.0) Calculated Property |
| log10WS | -8.72 | Relay (1.0) Calculated Property | |
| logPoct/wat | 9.062 | Crippen Calculated Property | |
| McVol | 424.680 | ml/mol | McGowan Calculated Property |
| Pc | 890.00 | kPa | Critical Temperatures and Pressures of 12 Phthalates Using the Pulse-Heating Method |
| Tboil | 699.14 | K | Relay (1.0) Calculated Property |
| Tc | 899.62 | K | Relay (1.0) Calculated Property |
| Tfus | 297.46 | K | Relay (1.0) Calculated Property |
| Vc | 1.622 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1496.84; 1581.64] | J/mol×K | [1070.04; 1324.57] | 
|
| Cp,gas | 1496.84 | J/mol×K | 1070.04 | Joback Calculated Property |
| Cp,gas | 1515.88 | J/mol×K | 1112.46 | Joback Calculated Property |
| Cp,gas | 1532.83 | J/mol×K | 1154.88 | Joback Calculated Property |
| Cp,gas | 1547.78 | J/mol×K | 1197.31 | Joback Calculated Property |
| Cp,gas | 1560.83 | J/mol×K | 1239.73 | Joback Calculated Property |
| Cp,gas | 1572.09 | J/mol×K | 1282.15 | Joback Calculated Property |
| Cp,gas | 1581.64 | J/mol×K | 1324.57 | Joback Calculated Property |
| η | [0.0000122; 0.0001828] | Pa×s | [611.12; 1070.04] |
|
| η | 0.0001828 | Pa×s | 611.12 | Joback Calculated Property |
| η | 0.0000907 | Pa×s | 687.61 | Joback Calculated Property |
| η | 0.0000517 | Pa×s | 764.09 | Joback Calculated Property |
| η | 0.0000327 | Pa×s | 840.58 | Joback Calculated Property |
| η | 0.0000223 | Pa×s | 917.07 | Joback Calculated Property |
| η | 0.0000161 | Pa×s | 993.55 | Joback Calculated Property |
| η | 0.0000122 | Pa×s | 1070.04 | Joback Calculated Property |
Pressure Dependent Properties
| Property | Value | Unit | Pressure (kPa) | Source |
|---|---|---|---|---|
| Tboilr | 524.00 ± 1.00 | K | 0.03 | NIST |
Similar Compounds
Find more compounds similar to 1,2-Benzenedicarboxylic acid, diundecyl ester.
Sources
- Cheméo Relay (1.0)
- Crippen Method
- Crippen Method
- Critical Temperatures and Pressures of 12 Phthalates Using the Pulse-Heating Method
- Joback Method
- McGowan Method
- NIST Webbook
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