- InChI
- InChI=1S/C10H16O4/c1-13-9(11)7-3-5-8(6-4-7)10(12)14-2/h7-8H,3-6H2,1-2H3
- InChI Key
- LNGAGQAGYITKCW-UHFFFAOYSA-N
- Formula
- C10H16O4
- SMILES
- COC(=O)C1CCC(C(=O)OC)CC1
- Molecular Weight1
- 200.23
- CAS
- 94-60-0
- Other Names
-
- Dimethyl hexahydroterephthalate
- Dimethyl 1,4-cyclohexanedicarboxylate
- 1,4-Cyclohexanedicarboxylic dimethyl ester
- Dimethyl 1,4-cyclohexanedicarboxylate,c&t
- 1,4-Cyclohexanedicarboxylic acid dimethyl ester,c&t
- dimethyl cyclohexane-1,4-dicarboxylate
- 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).
- 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 |
|---|---|---|---|
| ΔfG° | -417.78 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -705.35 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 20.14 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 56.29 | kJ/mol | Joback Calculated Property |
| log10WS | -1.14 | Crippen Calculated Property | |
| logPoct/wat | 1.139 | Crippen Calculated Property | |
| McVol | 155.780 | ml/mol | McGowan Calculated Property |
| Pc | 2729.71 | kPa | Joback Calculated Property |
| Tboil | 595.66 | K | Joback Calculated Property |
| Tc | 806.87 | K | Joback Calculated Property |
| Tfus | 349.92 | K | Joback Calculated Property |
| Vc | 0.576 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [406.56; 492.77] | J/mol×K | [595.66; 806.87] | 
|
| Cp,gas | 406.56 | J/mol×K | 595.66 | Joback Calculated Property |
| Cp,gas | 423.19 | J/mol×K | 630.86 | Joback Calculated Property |
| Cp,gas | 438.92 | J/mol×K | 666.06 | Joback Calculated Property |
| Cp,gas | 453.76 | J/mol×K | 701.26 | Joback Calculated Property |
| Cp,gas | 467.69 | J/mol×K | 736.46 | Joback Calculated Property |
| Cp,gas | 480.69 | J/mol×K | 771.67 | Joback Calculated Property |
| Cp,gas | 492.77 | J/mol×K | 806.87 | Joback Calculated Property |
| η | [0.0002314; 0.0020866] | Pa×s | [349.92; 595.66] |
|
| η | 0.0020866 | Pa×s | 349.92 | Joback Calculated Property |
| η | 0.0011937 | Pa×s | 390.88 | Joback Calculated Property |
| η | 0.0007592 | Pa×s | 431.83 | Joback Calculated Property |
| η | 0.0005222 | Pa×s | 472.79 | Joback Calculated Property |
| η | 0.0003813 | Pa×s | 513.75 | Joback Calculated Property |
| η | 0.0002916 | Pa×s | 554.70 | Joback Calculated Property |
| η | 0.0002314 | Pa×s | 595.66 | Joback Calculated Property |
Pressure Dependent Properties
| Property | Value | Unit | Pressure (kPa) | Source |
|---|---|---|---|---|
| Tboilr | 405.20 | K | 1.50 | NIST |
Similar Compounds
Find more compounds similar to 1,4-Cyclohexanedicarboxylic acid, dimethyl ester.
Sources
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