- InChI
- InChI=1S/C15H28O4/c1-18-14(16)12-10-8-6-4-3-5-7-9-11-13-15(17)19-2/h3-13H2,1-2H3
- InChI Key
- WWSBQOYADFGDQE-UHFFFAOYSA-N
- Formula
- C15H28O4
- SMILES
- COC(=O)CCCCCCCCCCCC(=O)OC
- Molecular Weight1
- 272.38
- CAS
- 1472-87-3
- Other Names
-
- Dimethyl brassylate
- Dimethyl tridecane-1,13-dioate
- Dimethyl tridecanedioate
- Methyl brassylate
- 1,13-Undecanedicarboxylic acid dimethyl ester
- 1,13-Dimethyltridecanedioate
- 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).
- 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 | 0.8753 | Relay (1.0) Calculated Property | |
| ΔfG° | -392.42 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -950.99 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 40.18 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 98.88 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.53 | eV | Relay (1.0) Calculated Property |
| log10WS | -4.24 | Relay (1.0) Calculated Property | |
| logPoct/wat | 3.623 | Crippen Calculated Property | |
| McVol | 237.090 | ml/mol | McGowan Calculated Property |
| Pc | 1518.75 | kPa | Joback Calculated Property |
| Tboil | 600.20 | K | NIST |
| Tc | 747.06 | K | Relay (1.0) Calculated Property |
| Tfus | 312.49 | K | Relay (1.0) Calculated Property |
| Vc | 0.922 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [677.29; 762.62] | J/mol×K | [695.18; 871.05] | 
|
| Cp,gas | 677.29 | J/mol×K | 695.18 | Joback Calculated Property |
| Cp,gas | 693.41 | J/mol×K | 724.49 | Joback Calculated Property |
| Cp,gas | 708.76 | J/mol×K | 753.80 | Joback Calculated Property |
| Cp,gas | 723.36 | J/mol×K | 783.12 | Joback Calculated Property |
| Cp,gas | 737.19 | J/mol×K | 812.43 | Joback Calculated Property |
| Cp,gas | 750.28 | J/mol×K | 841.74 | Joback Calculated Property |
| Cp,gas | 762.62 | J/mol×K | 871.05 | Joback Calculated Property |
| η | [0.0001056; 0.0013699] | Pa×s | [403.13; 695.18] |
|
| η | 0.0013699 | Pa×s | 403.13 | Joback Calculated Property |
| η | 0.0007100 | Pa×s | 451.81 | Joback Calculated Property |
| η | 0.0004181 | Pa×s | 500.48 | Joback Calculated Property |
| η | 0.0002705 | Pa×s | 549.15 | Joback Calculated Property |
| η | 0.0001878 | Pa×s | 597.83 | Joback Calculated Property |
| η | 0.0001378 | Pa×s | 646.50 | Joback Calculated Property |
| η | 0.0001056 | Pa×s | 695.18 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Tridecanedioic acid, dimethyl ester.
Sources
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