- InChI
- InChI=1S/C18H18O12/c1-25-13(19)7-8(14(20)26-2)10(16(22)28-4)12(18(24)30-6)11(17(23)29-5)9(7)15(21)27-3/h1-6H3
- InChI Key
- BQLICNRRYLYEDI-UHFFFAOYSA-N
- Formula
- C18H18O12
- SMILES
-
COC(=O)c1c(C(=O)OC)c(C(=O)OC)c
(C(=O)OC)c(C(=O)OC)c1C(=O)OC - Molecular Weight1
- 426.33
- CAS
- 6237-59-8
- Other Names
-
- Hexamethyl benzenehexacarboxylate
- Hexamethyl mellitate
- Mellitic acid, hexamethyl ester
- ΔcH°solid : Standard solid enthalpy of combustion (kJ/mol).
- 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).
- ΔfH°solid : Solid phase enthalpy of formation at standard conditions (kJ/mol).
- ΔfusH° : Enthalpy of fusion at standard conditions (kJ/mol).
- ΔfusH : Enthalpy of fusion at a given temperature (kJ/mol).
- ΔsubH° : Enthalpy of sublimation at standard conditions (kJ/mol).
- ΔsubH : Enthalpy of sublimation at a given temperature (kJ/mol).
- ΔvapH° : Enthalpy of vaporization at standard conditions (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).
- 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 |
|---|---|---|---|
| ΔcH°solid | -7544.80 ± 1.70 | kJ/mol | NIST |
| ΔfG° | -1238.58 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -1704.47 | kJ/mol | Joback Calculated Property |
| ΔfH°solid | -2110.80 ± 1.90 | kJ/mol | NIST |
| ΔfusH° | 51.19 | kJ/mol | Joback Calculated Property |
| ΔsubH° | 154.30 ± 1.20 | kJ/mol | NIST |
| ΔvapH° | 116.18 | kJ/mol | Joback Calculated Property |
| log10WS | -2.93 | Crippen Calculated Property | |
| logPoct/wat | 0.406 | Crippen Calculated Property | |
| McVol | 285.360 | ml/mol | McGowan Calculated Property |
| Pc | 1716.03 | kPa | Joback Calculated Property |
| Inp | 2535.00 | NIST | |
| Tboil | 1120.56 | K | Joback Calculated Property |
| Tc | 1372.35 | K | Joback Calculated Property |
| Tfus | 463.70 ± 0.20 | K | NIST |
| Vc | 1.079 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [823.47; 873.47] | J/mol×K | [1120.56; 1372.35] | 
|
| Cp,gas | 873.47 | J/mol×K | 1120.56 | Joback Calculated Property |
| Cp,gas | 873.00 | J/mol×K | 1162.52 | Joback Calculated Property |
| Cp,gas | 869.55 | J/mol×K | 1204.49 | Joback Calculated Property |
| Cp,gas | 863.00 | J/mol×K | 1246.45 | Joback Calculated Property |
| Cp,gas | 853.21 | J/mol×K | 1288.42 | Joback Calculated Property |
| Cp,gas | 840.08 | J/mol×K | 1330.38 | Joback Calculated Property |
| Cp,gas | 823.47 | J/mol×K | 1372.35 | Joback Calculated Property |
| η | [0.0000196; 0.0000745] | Pa×s | [814.60; 1120.56] |
|
| η | 0.0000745 | Pa×s | 814.60 | Joback Calculated Property |
| η | 0.0000559 | Pa×s | 865.59 | Joback Calculated Property |
| η | 0.0000432 | Pa×s | 916.59 | Joback Calculated Property |
| η | 0.0000344 | Pa×s | 967.58 | Joback Calculated Property |
| η | 0.0000279 | Pa×s | 1018.57 | Joback Calculated Property |
| η | 0.0000232 | Pa×s | 1069.57 | Joback Calculated Property |
| η | 0.0000196 | Pa×s | 1120.56 | Joback Calculated Property |
| ΔfusH | 22.50 | kJ/mol | 463.70 | NIST |
| ΔsubH | 140.70 ± 1.10 | kJ/mol | 412.50 | NIST |
Similar Compounds
Find more compounds similar to Benzenehexacarboxylic acid, hexamethyl ester.
Sources
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