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- InChI
- InChI=1S/C14H18/c1-2-6-12-10-14-8-4-3-7-13(14)9-11(12)5-1/h9-10H,1-8H2
- InChI Key
- LFAYMJXHGYUQNV-UHFFFAOYSA-N
- Formula
- C14H18
- SMILES
- c1c2c(cc3c1CCCC3)CCCC2
- Molecular Weight1
- 186.29
- CAS
- 1079-71-6
- Other Names
- 1,2,3,4,5,6,7,8-Octahydroanthracene
- Anthracene, octahydro-
- Octahydroanthracene
- s-Octahydroanthracene
- sym-Octahydroanthracene
- Sources
- PAff: Proton affinity (kJ/mol).
- BasG: Gas basicity (kJ/mol).
- ΔcH°solid: Standard solid enthalpy of combustion (kJ/mol).
- Cp,gas: Ideal gas heat capacity (J/mol×K).
- Cp,solid: Solid phase 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).
- ΔfH°solid: Solid phase enthalpy of formation at standard conditions (kJ/mol).
- ΔfusH°: Enthalpy of fusion at standard conditions (kJ/mol).
- ΔfusH: Enthalpy of fusion at a given temperature (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).
- logPoct/wat: Octanol/Water partition coefficient.
- Pc: Critical Pressure (kPa).
- ΔfusS: Entropy of fusion at a given temperature (J/mol×K).
- Tboil: Normal Boiling Point Temperature (K).
- Tc: Critical Temperature (K).
- Tfus: Normal melting (fusion) point (K).
- Ttriple: Triple Point Temperature (K).
- Vc: Critical Volume (m3/kg-mol).
- 1: Molecular weight from the IUPAC atomic weights tables.
Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| PAff | 845.40 | kJ/mol | NIST |
| BasG | 814.70 | kJ/mol | NIST |
| ΔcH°solid | -7962.10 ± 2.90 | kJ/mol | NIST |
| ΔfG° | 263.24 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -37.20 ± 3.20 | kJ/mol | NIST |
| ΔfH°solid | -119.50 ± 2.90 | kJ/mol | NIST |
| ΔfusH° | 14.82 | kJ/mol | Joback Calculated Property |
| ΔsubH° | 82.00 ± 1.00 | kJ/mol | NIST |
| ΔsubH° | 82.30 | kJ/mol | NIST |
| ΔsubH° | 82.30 ± 1.20 | kJ/mol | NIST |
| ΔvapH° | 51.81 | kJ/mol | Joback Calculated Property |
| IE | 7.86 ± 0.05 | eV | NIST |
| logPoct/wat | 3.444 | Crippen Calculated Property | |
| Pc | 2770.08 | kPa | Joback Calculated Property |
| Tboil | 567.20 | K | NIST |
| Tboil | 440.20 | K | NIST |
| Tc | 836.40 | K | Joback Calculated Property |
| Tfus | [346.00; 347.00] | K | 
|
| Tfus | 346.00 ± 1.00 | K | NIST |
| Tfus | 347.00 ± 6.00 | K | NIST |
| Tfus | 346.40 ± 1.00 | K | NIST |
| Tfus | 346.15 ± 1.50 | K | NIST |
| Tfus | 347.00 ± 6.00 | K | NIST |
| Ttriple | 345.39 ± 0.01 | K | NIST |
| Vc | 0.612 | m3/kg-mol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | 415.67 | J/mol×K | 592.7 | Joback Calculated Property |
| Cp,solid | 327.60 | J/mol×K | 327.0 | NIST |
| η | 0.0004284 | Pa×s | 592.7 | Joback Calculated Property |
| ΔfusH | 2.51 | kJ/mol | 331.4 | NIST |
| ΔfusH | 18.34 | kJ/mol | 345.4 | NIST |
| ΔvapH | 45.60 | kJ/mol | 467.5 | NIST |
| ΔfusS | 7.59 | J/mol×K | 331.4 | NIST |
| ΔfusS | 53.10 | J/mol×K | 345.4 | NIST |
Molecular Descriptors
| Joback and Reid Groups | |
|---|---|
| =C< (ring) | 4 |
| -CH2- (ring) | 8 |
| =CH- (ring) | 2 |
Similar Compounds
Find more compounds similar to Anthracene, 1,2,3,4,5,6,7,8-octahydro-.
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