- InChI
- InChI=1S/C14H16O4/c15-13(16)11-8-4-5-9-12(11)14(17)18-10-6-2-1-3-7-10/h4-5,8-10H,1-3,6-7H2,(H,15,16)
- InChI Key
- PMDKYLLIOLFQPO-UHFFFAOYSA-N
- Formula
- C14H16O4
- SMILES
- O=C(O)c1ccccc1C(=O)OC1CCCCC1
- Molecular Weight1
- 248.27
- CAS
- 7517-36-4
- Other Names
-
- 1,2-Benzenedicarboxylic acid, monocyclohexyl ester
- Cyclohexyl hydrogen phthalate
- Mchp
- Monocyclohexyl phthalate
- 2-(Cyclohexyloxycarbonyl)benzoic acid
- 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).
- 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 |
|---|---|---|---|
| ω | 0.8377 | Relay (1.0) Calculated Property | |
| ΔfG° | -305.43 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -684.66 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 25.98 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 106.61 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.32 | eV | Relay (1.0) Calculated Property |
| log10WS | -3.28 | Relay (1.0) Calculated Property | |
| logPoct/wat | 2.874 | Crippen Calculated Property | |
| McVol | 188.380 | ml/mol | McGowan Calculated Property |
| Pc | 2953.69 | kPa | Joback Calculated Property |
| Inp | [2117.00; 2117.00] |
|
|
| Inp | 2117.00 | NIST | |
| Inp | 2117.00 | NIST | |
| Tboil | 618.41 | K | Relay (1.0) Calculated Property |
| Tc | 887.26 | K | Relay (1.0) Calculated Property |
| Tfus | 377.89 | K | Relay (1.0) Calculated Property |
| Vc | 0.676 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [560.74; 623.80] | J/mol×K | [793.27; 1017.09] |
|
| Cp,gas | 560.74 | J/mol×K | 793.27 | Joback Calculated Property |
| Cp,gas | 573.99 | J/mol×K | 830.57 | Joback Calculated Property |
| Cp,gas | 586.11 | J/mol×K | 867.88 | Joback Calculated Property |
| Cp,gas | 597.11 | J/mol×K | 905.18 | Joback Calculated Property |
| Cp,gas | 607.04 | J/mol×K | 942.48 | Joback Calculated Property |
| Cp,gas | 615.93 | J/mol×K | 979.79 | Joback Calculated Property |
| Cp,gas | 623.80 | J/mol×K | 1017.09 | Joback Calculated Property |
| η | [0.0000297; 0.0008951] | Pa×s | [476.77; 793.27] |
|
| η | 0.0008951 | Pa×s | 476.77 | Joback Calculated Property |
| η | 0.0003825 | Pa×s | 529.52 | Joback Calculated Property |
| η | 0.0001907 | Pa×s | 582.27 | Joback Calculated Property |
| η | 0.0001067 | Pa×s | 635.02 | Joback Calculated Property |
| η | 0.0000653 | Pa×s | 687.77 | Joback Calculated Property |
| η | 0.0000428 | Pa×s | 740.52 | Joback Calculated Property |
| η | 0.0000297 | Pa×s | 793.27 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Phthalic acid, monocyclohexyl ester.
Sources
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