- InChI
- InChI=1S/C10H14O3/c1-11-10(12-2,13-3)9-7-5-4-6-8-9/h4-8H,1-3H3
- InChI Key
- IECKAVQTURBPON-UHFFFAOYSA-N
- Formula
- C10H14O3
- SMILES
- COC(OC)(OC)c1ccccc1
- Molecular Weight1
- 182.22
- CAS
- 707-07-3
- Other Names
-
- Orthobenzoic acid, trimethyl ester
- Methyl orthobenzoate
- Trimethyl orthobenzoate
- ω : Acentric Factor.
- ΔcH°solid : Standard solid enthalpy of combustion (kJ/mol).
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- η : Dynamic viscosity (Pa×s).
- ΔfH°gas : Enthalpy of formation at standard conditions (kJ/mol).
- ΔfH°liquid : Liquid phase 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).
- ΔsubH° : Enthalpy of sublimation at standard conditions (kJ/mol).
- ΔvapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
- ΔvapH : Enthalpy of vaporization at a given temperature (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).
- 1: Molecular weight from the IUPAC atomic weights tables.
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Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| ω | 0.4354 | Relay (1.0) Calculated Property | |
| ΔcH°solid | -5444.00 ± 1.20 | kJ/mol | NIST |
| ΔfH°gas | [-433.30; -429.40] | kJ/mol |
|
| ΔfH°gas | -433.30 ± 1.30 | kJ/mol | NIST |
| ΔfH°gas | -429.40 ± 5.20 | kJ/mol | NIST |
| ΔfH°liquid | -485.80 ± 3.10 | kJ/mol | NIST |
| ΔfH°solid | -491.90 ± 1.20 | kJ/mol | NIST |
| ΔfusH° | 11.85 | kJ/mol | Joback Calculated Property |
| ΔsubH° | [58.60; 58.62] | kJ/mol |
|
| ΔsubH° | 58.62 ± 0.38 | kJ/mol | NIST |
| ΔsubH° | 58.60 | kJ/mol | NIST |
| ΔvapH° | [56.40; 59.90] | kJ/mol |
|
| ΔvapH° | 59.90 ± 0.40 | kJ/mol | NIST |
| ΔvapH° | 56.40 ± 4.20 | kJ/mol | NIST |
| ΔvapH° | 56.40 | kJ/mol | NIST |
| IE | 9.04 | eV | Relay (1.0) Calculated Property |
| log10WS | -2.09 | Relay (1.0) Calculated Property | |
| logPoct/wat | 1.736 | Crippen Calculated Property | |
| McVol | 145.610 | ml/mol | McGowan Calculated Property |
| Pc | 2832.35 | kPa | Joback Calculated Property |
| Tboil | 486.01 | K | Relay (1.0) Calculated Property |
| Tc | 694.20 | K | Relay (1.0) Calculated Property |
| Tfus | 275.84 | K | Relay (1.0) Calculated Property |
Cheméo can also estimate Critical Volume, Standard Gibbs free energy of formation for this compound, but they fall outside the models' validated range, so they are not shown here. Open the prediction tool to compute them on demand.
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [333.56; 412.55] | J/mol×K | [519.11; 731.81] |
|
| Cp,gas | 333.56 | J/mol×K | 519.11 | Joback Calculated Property |
| Cp,gas | 348.71 | J/mol×K | 554.56 | Joback Calculated Property |
| Cp,gas | 363.06 | J/mol×K | 590.01 | Joback Calculated Property |
| Cp,gas | 376.60 | J/mol×K | 625.46 | Joback Calculated Property |
| Cp,gas | 389.36 | J/mol×K | 660.91 | Joback Calculated Property |
| Cp,gas | 401.34 | J/mol×K | 696.36 | Joback Calculated Property |
| Cp,gas | 412.55 | J/mol×K | 731.81 | Joback Calculated Property |
| η | [0.0001288; 0.0019253] | Pa×s | [297.99; 519.11] |
|
| η | 0.0019253 | Pa×s | 297.99 | Joback Calculated Property |
| η | 0.0009571 | Pa×s | 334.84 | Joback Calculated Property |
| η | 0.0005465 | Pa×s | 371.70 | Joback Calculated Property |
| η | 0.0003453 | Pa×s | 408.55 | Joback Calculated Property |
| η | 0.0002354 | Pa×s | 445.40 | Joback Calculated Property |
| η | 0.0001701 | Pa×s | 482.26 | Joback Calculated Property |
| η | 0.0001288 | Pa×s | 519.11 | Joback Calculated Property |
| ΔvapH | 58.60 ± 0.40 | kJ/mol | 313.50 | NIST |
Pressure Dependent Properties
| Property | Value | Unit | Pressure (kPa) | Source |
|---|---|---|---|---|
| Tboilr | 360.70 | K | 0.90 | NIST |
Similar Compounds
Find more compounds similar to Benzene, (trimethoxymethyl)-.
Sources
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