- InChI
- InChI=1S/C7H10O/c1-8-7-5-3-2-4-6-7/h2-3,5H,4,6H2,1H3
- InChI Key
- LNRUJSUKKBJFOM-UHFFFAOYSA-N
- Formula
- C7H10O
- SMILES
- COC1=CC=CCC1
- Molecular Weight1
- 110.15
- CAS
- 2161-90-2
- Other Names
-
- 1,3-Cyclohexadiene, 1-methoxy-
- 1-methoxycyclohexa-1,3-diene
- 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.
- I : Polar retention indices.
- 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 |
|---|---|---|---|
| ω | 0.2728 | Relay (1.0) Calculated Property | |
| ΔfG° | -14.49 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -84.32 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 7.89 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 44.18 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 7.79 | eV | Relay (1.0) Calculated Property |
| log10WS | -1.60 | Relay (1.0) Calculated Property | |
| logPoct/wat | 1.867 | Crippen Calculated Property | |
| McVol | 95.900 | ml/mol | McGowan Calculated Property |
| Pc | 3848.31 | kPa | Joback Calculated Property |
| Inp | 904.00 | NIST | |
| I | [1250.00; 1253.00] |
|
|
| I | 1253.00 | NIST | |
| I | 1250.00 | NIST | |
| I | 1253.00 | NIST | |
| I | 1250.00 | NIST | |
| Tboil | 417.61 | K | Relay (1.0) Calculated Property |
| Tc | 610.17 | K | Relay (1.0) Calculated Property |
| Tfus | 194.74 | K | Relay (1.0) Calculated Property |
| Vc | 0.330 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [173.00; 238.85] | J/mol×K | [409.50; 618.03] |
|
| Cp,gas | 173.00 | J/mol×K | 409.50 | Joback Calculated Property |
| Cp,gas | 185.38 | J/mol×K | 444.25 | Joback Calculated Property |
| Cp,gas | 197.19 | J/mol×K | 479.01 | Joback Calculated Property |
| Cp,gas | 208.43 | J/mol×K | 513.76 | Joback Calculated Property |
| Cp,gas | 219.11 | J/mol×K | 548.52 | Joback Calculated Property |
| Cp,gas | 229.25 | J/mol×K | 583.27 | Joback Calculated Property |
| Cp,gas | 238.85 | J/mol×K | 618.03 | Joback Calculated Property |
| η | [0.0002218; 0.0031599] | Pa×s | [216.54; 409.50] |
|
| η | 0.0031599 | Pa×s | 216.54 | Joback Calculated Property |
| η | 0.0015242 | Pa×s | 248.70 | Joback Calculated Property |
| η | 0.0008688 | Pa×s | 280.86 | Joback Calculated Property |
| η | 0.0005559 | Pa×s | 313.02 | Joback Calculated Property |
| η | 0.0003865 | Pa×s | 345.18 | Joback Calculated Property |
| η | 0.0002859 | Pa×s | 377.34 | Joback Calculated Property |
| η | 0.0002218 | Pa×s | 409.50 | Joback Calculated Property |
Pressure Dependent Properties
| Property | Value | Unit | Pressure (kPa) | Source |
|---|---|---|---|---|
| Tboilr | 313.20 | K | 2.00 | NIST |
Similar Compounds
Find more compounds similar to 1-Methoxy-1,3-cyclohexadiene.
Sources
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