- InChI
- InChI=1S/C14H20/c1-10-7-8-13-12(11(10)2)6-5-9-14(13,3)4/h7-8H,5-6,9H2,1-4H3
- InChI Key
- FXJRXZWVNPHANR-UHFFFAOYSA-N
- Formula
- C14H20
- SMILES
- Cc1ccc2c(c1C)CCCC2(C)C
- Molecular Weight1
- 188.31
- CAS
- 31197-54-3
- ω : Acentric Factor.
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- 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).
- 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 | 0.4085 | Relay (... Calculated Property | |
| ΔfG° | 193.68 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -88.22 | kJ/mol | Relay (... Calculated Property |
| ΔfusH° | 14.63 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 64.45 | kJ/mol | Relay (... Calculated Property |
| IE | 7.93 | eV | Relay (... Calculated Property |
| log10WS | -5.07 | Relay (... Calculated Property | |
| logPoct/wat | 3.917 | Crippen Calculated Property | |
| McVol | 173.500 | ml/mol | McGowan Calculated Property |
| Pc | 2320.31 | kPa | Joback Calculated Property |
| Inp | [1501.00; 1522.60] |
|
|
| Inp | 1522.60 | NIST | |
| Inp | 1510.00 | NIST | |
| Inp | 1501.00 | NIST | |
| Inp | 1510.00 | NIST | |
| I | 1925.00 | NIST | |
| Tboil | 542.41 | K | Relay (... Calculated Property |
| Tc | 762.47 | K | Relay (... Calculated Property |
| Tfus | 306.13 | K | Relay (... Calculated Property |
| Vc | 0.632 | m3/kmol | Relay (... Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [429.35; 528.59] | J/mol×K | [572.59; 800.28] |
|
| Cp,gas | 429.35 | J/mol×K | 572.59 | Joback Calculated Property |
| Cp,gas | 448.30 | J/mol×K | 610.54 | Joback Calculated Property |
| Cp,gas | 466.08 | J/mol×K | 648.49 | Joback Calculated Property |
| Cp,gas | 482.85 | J/mol×K | 686.43 | Joback Calculated Property |
| Cp,gas | 498.75 | J/mol×K | 724.38 | Joback Calculated Property |
| Cp,gas | 513.95 | J/mol×K | 762.33 | Joback Calculated Property |
| Cp,gas | 528.59 | J/mol×K | 800.28 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 1,1,5,6-Tetramethyl-1,2,3,4-tetrahydronaphthalene.
Sources
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