- InChI
- InChI=1S/C9H10O/c1-2-6-9-8(4-1)5-3-7-10-9/h1-2,4,6H,3,5,7H2
- InChI Key
- VZWXIQHBIQLMPN-UHFFFAOYSA-N
- Formula
- C9H10O
- SMILES
- c1ccc2c(c1)CCCO2
- Molecular Weight1
- 134.18
- CAS
- 493-08-3
- Other Names
-
- Chroman
- 3,4-Dihydro-2H-1-benzopyran
- Benzopyran, 3,4-dihydro
- Dihydrobenzopyran
- ΔcH°liquid : Standard liquid enthalpy of combustion (kJ/mol).
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- Cp,liquid : Liquid 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°liquid : Liquid 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).
- ΔsubH : Enthalpy of sublimation at a given temperature (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).
- ΔfusS : Entropy of fusion at a given temperature (J/mol×K).
- S°liquid : Liquid phase molar entropy at standard conditions (J/mol×K).
- 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 |
|---|---|---|---|
| ΔcH°liquid | -4831.63 ± 0.92 | kJ/mol | NIST |
| ΔfG° | 97.92 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -82.40 ± 1.20 | kJ/mol | NIST |
| ΔfH°liquid | -139.10 ± 1.20 | kJ/mol | NIST |
| ΔfusH° | 15.66 | kJ/mol | Joback Calculated Property |
| ΔsubH° | 56.70 ± 0.10 | kJ/mol | NIST |
| ΔvapH° | [56.70; 56.70] | kJ/mol |
|
| ΔvapH° | 56.70 | kJ/mol | NIST |
| ΔvapH° | 56.70 | kJ/mol | NIST |
| IE | [7.93; 8.43] | eV |
|
| IE | 7.93 | eV | NIST |
| IE | 8.43 | eV | NIST |
| log10WS | -2.29 | Crippen Calculated Property | |
| logPoct/wat | 2.012 | Crippen Calculated Property | |
| McVol | 108.920 | ml/mol | McGowan Calculated Property |
| Pc | 3970.51 | kPa | Joback Calculated Property |
| S°liquid | [246.02; 246.03] | J/mol×K |
|
| S°liquid | 246.02 | J/mol×K | NIST |
| S°liquid | 246.03 | J/mol×K | NIST |
| Tboil | 479.61 | K | Joback Calculated Property |
| Tc | 714.33 | K | Joback Calculated Property |
| Tfus | 269.84 | K | NIST |
| Vc | 0.403 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [227.70; 301.77] | J/mol×K | [479.61; 714.33] |
|
|
T(K) Ideal gas heat capacity (J/mol×K) 230 240 250 260 270 280 290 300 500 600 700 | ||||
| Cp,gas | 227.70 | J/mol×K | 479.61 | Joback Calculated Property |
| Cp,gas | 242.55 | J/mol×K | 518.73 | Joback Calculated Property |
| Cp,gas | 256.31 | J/mol×K | 557.85 | Joback Calculated Property |
| Cp,gas | 269.05 | J/mol×K | 596.97 | Joback Calculated Property |
| Cp,gas | 280.82 | J/mol×K | 636.09 | Joback Calculated Property |
| Cp,gas | 291.71 | J/mol×K | 675.21 | Joback Calculated Property |
| Cp,gas | 301.77 | J/mol×K | 714.33 | Joback Calculated Property |
| Cp,liquid | [213.97; 214.00] | J/mol×K | [298.15; 298.15] |
|
| Cp,liquid | 213.97 | J/mol×K | 298.15 | NIST |
| Cp,liquid | 214.00 | J/mol×K | 298.15 | NIST |
| η | [0.0003715; 0.0028266] | Pa×s | [275.36; 479.61] |
|
|
T(K) Dynamic viscosity (Pa×s) 5.00e-4 1.00e-3 1.50e-3 2.00e-3 2.50e-3 3.00e-3 300 350 400 450 | ||||
| η | 0.0028266 | Pa×s | 275.36 | Joback Calculated Property |
| η | 0.0016733 | Pa×s | 309.40 | Joback Calculated Property |
| η | 0.0010990 | Pa×s | 343.44 | Joback Calculated Property |
| η | 0.0007787 | Pa×s | 377.49 | Joback Calculated Property |
| η | 0.0005841 | Pa×s | 411.53 | Joback Calculated Property |
| η | 0.0004578 | Pa×s | 445.57 | Joback Calculated Property |
| η | 0.0003715 | Pa×s | 479.61 | Joback Calculated Property |
| ΔfusH | [16.26; 16.26] | kJ/mol | [269.80; 269.84] |
|
| ΔfusH | 16.26 | kJ/mol | 269.80 | NIST |
| ΔfusH | 16.26 | kJ/mol | 269.80 | NIST |
| ΔfusH | 16.26 | kJ/mol | 269.84 | NIST |
| ΔsubH | [42.50; 55.20] | kJ/mol | [414.00; 414.00] |
|
|
T(K) Enthalpy of sublimation at a given temperature (kJ/mol) 42 44 46 48 50 52 54 56 | ||||
| ΔsubH | 55.20 ± 0.10 | kJ/mol | 414.00 | NIST |
| ΔsubH | 52.70 ± 0.10 | kJ/mol | 414.00 | NIST |
| ΔsubH | 50.20 ± 0.10 | kJ/mol | 414.00 | NIST |
| ΔsubH | 48.90 ± 0.10 | kJ/mol | 414.00 | NIST |
| ΔsubH | 45.10 ± 0.30 | kJ/mol | 414.00 | NIST |
| ΔsubH | 42.50 ± 0.50 | kJ/mol | 414.00 | NIST |
| ΔfusS | 60.24 | J/mol×K | 269.84 | NIST |
Pressure Dependent Properties
| Property | Value | Unit | Pressure (kPa) | Source |
|---|---|---|---|---|
| Tboilr | [371.70; 487.70] | K | [2.40; 98.90] |
|
| Tboilr | 371.70 | K | 2.40 | NIST |
| Tboilr | 487.70 | K | 98.90 | NIST |
Similar Compounds
Find more compounds similar to 2H-1-Benzopyran, 3,4-dihydro-.
Sources
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