- InChI
- InChI=1S/C9H10/c1-2-4-8(5-3-1)9-6-7-9/h1-5,9H,6-7H2
- InChI Key
- VFSFCYAQBIPUSL-UHFFFAOYSA-N
- Formula
- C9H10
- SMILES
- c1ccc(C2CC2)cc1
- Molecular Weight1
- 118.18
- CAS
- 873-49-4
- Other Names
-
- Cyclopropane, phenyl-
- Cyclopropylbenzene
- Phenylcyclopropane
- 1-Phenylcyclopropane
- PAff : Proton affinity (kJ/mol).
- BasG : Gas basicity (kJ/mol).
- ΔcH°liquid : Standard liquid enthalpy of combustion (kJ/mol).
- 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).
- ΔfH°liquid : Liquid phase 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 |
|---|---|---|---|
| PAff | [832.20; 834.90] | kJ/mol |
|
| PAff | 834.90 | kJ/mol | NIST |
| PAff | 832.20 | kJ/mol | NIST |
| BasG | [802.40; 802.50] | kJ/mol |
|
| BasG | 802.40 | kJ/mol | NIST |
| BasG | 802.50 | kJ/mol | NIST |
| ΔcH°liquid | [-5076.40; -5071.00] | kJ/mol |
|
| ΔcH°liquid | -5076.40 | kJ/mol | NIST |
| ΔcH°liquid | -5071.00 ± 0.80 | kJ/mol | NIST |
| ΔfG° | 198.06 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | [150.40; 150.70] | kJ/mol |
|
| ΔfH°gas | 150.70 ± 1.00 | kJ/mol | NIST |
| ΔfH°gas | 150.40 ± 0.80 | kJ/mol | NIST |
| ΔfH°liquid | 100.20 ± 0.80 | kJ/mol | NIST |
| ΔfusH° | 11.24 | kJ/mol | Joback Calculated Property |
| ΔvapH° | [50.20; 50.22] | kJ/mol |
|
| ΔvapH° | 50.22 | kJ/mol | NIST |
| ΔvapH° | 50.20 ± 0.10 | kJ/mol | NIST |
| IE | [8.30; 8.71] | eV |
|
| IE | 8.35 | eV | NIST |
| IE | 8.30 ± 0.10 | eV | NIST |
| IE | 8.60 | eV | NIST |
| IE | 8.61 | eV | NIST |
| IE | 8.66 | eV | NIST |
| IE | 8.71 | eV | NIST |
| log10WS | -2.55 | Crippen Calculated Property | |
| logPoct/wat | 2.564 | Crippen Calculated Property | |
| McVol | 103.050 | ml/mol | McGowan Calculated Property |
| Pc | 3805.69 | kPa | Joback Calculated Property |
| Inp | [140.40; 1020.00] |
|
|
| Inp | 1010.00 | NIST | |
| Inp | 1002.00 | NIST | |
| Inp | 1020.00 | NIST | |
| Inp | 995.00 | NIST | |
| Inp | Outlier 140.40 | NIST | |
| Inp | 995.00 | NIST | |
| Inp | 1020.00 | NIST | |
| Inp | 1010.00 | NIST | |
| I | [1375.00; 1414.00] |
|
|
| I | 1375.00 | NIST | |
| I | 1377.00 | NIST | |
| I | 1414.00 | NIST | |
| Tboil | [438.00; 444.00] | K |
|
| Tboil | 444.00 ± 4.00 | K | NIST |
| Tboil | 438.00 ± 3.00 | K | NIST |
| Tboil | 443.65 ± 2.00 | K | NIST |
| Tc | 663.97 | K | Joback Calculated Property |
| Tfus | 235.55 | K | Joback Calculated Property |
| Vc | 0.389 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [199.52; 277.00] | J/mol×K | [438.74; 663.97] |
|
| Cp,gas | 199.52 | J/mol×K | 438.74 | Joback Calculated Property |
| Cp,gas | 215.03 | J/mol×K | 476.28 | Joback Calculated Property |
| Cp,gas | 229.41 | J/mol×K | 513.82 | Joback Calculated Property |
| Cp,gas | 242.73 | J/mol×K | 551.36 | Joback Calculated Property |
| Cp,gas | 255.05 | J/mol×K | 588.89 | Joback Calculated Property |
| Cp,gas | 266.45 | J/mol×K | 626.43 | Joback Calculated Property |
| Cp,gas | 277.00 | J/mol×K | 663.97 | Joback Calculated Property |
| η | [0.0003963; 0.0014956] | Pa×s | [235.55; 438.74] |
|
| η | 0.0014956 | Pa×s | 235.55 | Joback Calculated Property |
| η | 0.0010430 | Pa×s | 269.42 | Joback Calculated Property |
| η | 0.0007883 | Pa×s | 303.28 | Joback Calculated Property |
| η | 0.0006303 | Pa×s | 337.14 | Joback Calculated Property |
| η | 0.0005250 | Pa×s | 371.01 | Joback Calculated Property |
| η | 0.0004508 | Pa×s | 404.88 | Joback Calculated Property |
| η | 0.0003963 | Pa×s | 438.74 | Joback Calculated Property |
Pressure Dependent Properties
| Property | Value | Unit | Pressure (kPa) | Source |
|---|---|---|---|---|
| Tboilr | [353.20; 446.80] | K | [4.90; 100.00] |
|
| Tboilr | 353.20 | K | 4.90 | NIST |
| Tboilr | 446.80 | K | 100.00 | NIST |
Similar Compounds
Find more compounds similar to Benzene, cyclopropyl-.
Sources
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