- InChI
- InChI=1S/C12H12/c1-9-7-10(2)12-6-4-3-5-11(12)8-9/h3-8H,1-2H3
- InChI Key
- QHJMFSMPSZREIF-UHFFFAOYSA-N
- Formula
- C12H12
- SMILES
- Cc1cc(C)c2ccccc2c1
- Molecular Weight1
- 156.22
- CAS
- 575-41-7
- Other Names
-
- 1,3-Dimethyl naphthalene
- 1,3-dimethylnaphthalene
- 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).
- Pvap : Vapor pressure (kPa).
- Inp : Non-polar retention indices.
- Ip : Polar retention indices.
- Tboil : Normal Boiling Point Temperature (K).
- Tc : Critical Temperature (K).
- Tfus : Normal melting (fusion) point (K).
- Vc : Critical Volume (m3/kmol).
- Zc : Critical Compressibility.
- 1: Molecular weight from the IUPAC atomic weights tables.
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Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| ω | [0.4126; 0.4430] |
|
|
| ω | 0.4126 | PSRK revision IV (2005), critical constants and acentric factors of 1000 components Compiled value | |
| ω | 0.4430 | KDB | |
| ΔfG° | 249.96 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | 104.79 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 17.12 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 65.44 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 7.86 ± 0.03 | eV | NIST |
| log10WS | [-4.29; -4.29] |
|
|
| log10WS | -4.29 | Aq. Solubility Prediction | |
| log10WS | -4.29 | Estimated Solubility | |
| logPoct/wat | 3.457 | Crippen Calculated Property | |
| McVol | 136.720 | ml/mol | McGowan Calculated Property |
| Pc | [3010.00; 3313.33] | kPa |
|
| Pc | 3313.33 | kPa | PSRK revision IV (2005), critical constants and acentric factors of 1000 components Compiled value |
| Pc | 3010.00 | kPa | KDB |
| Inp | [236.00; 1427.00] |
|
|
| Inp | 1414.00 | NIST | |
| Inp | 1414.00 | NIST | |
| Inp | 1415.00 | NIST | |
| Inp | 1423.00 | NIST | |
| Inp | 1400.00 | NIST | |
| Inp | 1414.00 | NIST | |
| Inp | 1402.00 | NIST | |
| Inp | 1416.00 | NIST | |
| Inp | 1391.00 | NIST | |
| Inp | 1405.30 | NIST | |
| Inp | 1416.50 | NIST | |
| Inp | 1422.30 | NIST | |
| Inp | 1405.30 | NIST | |
| Inp | 1416.50 | NIST | |
| Inp | 1422.30 | NIST | |
| Inp | 1397.00 | NIST | |
| Inp | 1427.00 | NIST | |
| Inp | 1391.00 | NIST | |
| Inp | 1415.40 | NIST | |
| Inp | 1409.00 | NIST | |
| Inp | 1385.00 | NIST | |
| Inp | 1397.00 | NIST | |
| Inp | 1424.00 | NIST | |
| Inp | 1421.00 | NIST | |
| Inp | 1398.00 | NIST | |
| Inp | 1402.30 | NIST | |
| Inp | 1400.00 | NIST | |
| Inp | 1402.00 | NIST | |
| Inp | 242.99 | NIST | |
| Inp | 240.25 | NIST | |
| Inp | 243.42 | NIST | |
| Inp | 242.38 | NIST | |
| Inp | 242.97 | NIST | |
| Inp | 243.31 | NIST | |
| Inp | 242.90 | NIST | |
| Inp | 243.35 | NIST | |
| Inp | 243.76 | NIST | |
| Inp | 240.23 | NIST | |
| Inp | 236.00 | NIST | |
| Inp | 243.30 | NIST | |
| Inp | 240.25 | NIST | |
| Inp | 243.90 | NIST | |
| Inp | 243.10 | NIST | |
| Inp | 240.30 | NIST | |
| Inp | 243.75 | NIST | |
| Inp | 243.56 | NIST | |
| Inp | 243.30 | NIST | |
| Inp | 243.40 | NIST | |
| Inp | 240.25 | NIST | |
| Inp | 1415.40 | NIST | |
| Ip | [2045.00; 2045.00] |
|
|
| Ip | 2045.00 | NIST | |
| Ip | 2045.00 | NIST | |
| Tboil | [536.00; 538.40] | K |
|
| Tboil | 538.20 | K | Critical properties of some alkylnaphthalenes |
| Tboil | 538.40 | K | KDB |
| Tboil | 536.20 | K | NIST |
| Tboil | 538.20 ± 0.30 | K | NIST |
| Tboil | 538.00 ± 4.00 | K | NIST |
| Tboil | 536.00 ± 8.00 | K | NIST |
| Tc | [773.80; 781.20] | K |
|
| Tc | 781.20 | K | PSRK revision IV (2005), critical constants and acentric factors of 1000 components Compiled value |
| Tc | 773.80 | K | KDB |
| Tfus | [267.15; 269.00] | K |
|
| Tfus | 267.15 | K | Jean-Claude Bradley Open Melting Point Dataset (2014, CC0) Compiled value |
| Tfus | 269.00 | K | KDB |
| Vc | [0.521; 0.534] | m3/kmol |
|
| Vc | 0.534 | m3/kmol | PSRK revision IV (2005), critical constants and acentric factors of 1000 components Compiled value |
| Vc | 0.521 | m3/kmol | KDB |
| Zc | 0.2439810 | KDB |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [166.89; 423.03] | J/mol×K | [273.00; 1000.00] |
Joback Predicted correlation
|
| Equation | Y = A + B·T + C·T² + D·T³ + E·T⁴ Y is Cp,gas in J/mol×K, T in K | |||
| Coefficient A | -4.47700e+01 | |||
| Coefficient B | 9.42240e-01 | |||
| Coefficient C | -6.62840e-04 | |||
| Coefficient D | 1.88400e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 166.89 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 213.96 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 254.98 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 290.55 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 321.28 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 347.75 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 370.57 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 390.32 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 407.61 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 423.03 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0021389; 0.0002802] | Pa×s | [268.07; 544.25] |
Joback Predicted correlation
|
| Equation | Y = exp(A + B/T + C·ln(T) + D·T^E) Y is η in Pa×s, T in K | |||
| Coefficient A | -1.01527e+01 | |||
| Coefficient B | 1.07370e+03 | |||
| Coefficient C | 0.00000e+00 | |||
| Coefficient D | 0.00000e+00 | |||
| Coefficient E | 0.00000e+00 | |||
| Comment | Liquid phase. Joback/Reid (1987), valid from Tf to 0.7·Tc. | |||
| Temperature range, min. | 268.07 | |||
| Temperature range, max. | 544.25 | |||
| η | 0.0021389 | Pa×s | 268.07 | Calculated Property |
| η | 0.0014175 | Pa×s | 298.76 | Calculated Property |
| η | 0.0010143 | Pa×s | 329.45 | Calculated Property |
| η | 0.0007683 | Pa×s | 360.13 | Calculated Property |
| η | 0.0006080 | Pa×s | 390.82 | Calculated Property |
| η | 0.0004978 | Pa×s | 421.51 | Calculated Property |
| η | 0.0004187 | Pa×s | 452.19 | Calculated Property |
| η | 0.0003601 | Pa×s | 482.88 | Calculated Property |
| η | 0.0003153 | Pa×s | 513.56 | Calculated Property |
| η | 0.0002802 | Pa×s | 544.25 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Pvap | [1.33; 202.64] | kPa | [393.37; 570.49] |
The Yaws Handbook of Vapor Pressure
|
| Equation | ln(Y) = A + B/(T + C) Y is Pvap in kPa, T in K | |||
| Coefficient A | 1.53563e+01 | |||
| Coefficient B | -5.33641e+03 | |||
| Coefficient C | -3.92350e+01 | |||
| Temperature range, min. | 393.37 | |||
| Temperature range, max. | 570.49 | |||
| Pvap | 1.33 | kPa | 393.37 | Calculated Property |
| Pvap | 2.95 | kPa | 413.05 | Calculated Property |
| Pvap | 6.02 | kPa | 432.73 | Calculated Property |
| Pvap | 11.48 | kPa | 452.41 | Calculated Property |
| Pvap | 20.65 | kPa | 472.09 | Calculated Property |
| Pvap | 35.31 | kPa | 491.77 | Calculated Property |
| Pvap | 57.72 | kPa | 511.45 | Calculated Property |
| Pvap | 90.71 | kPa | 531.13 | Calculated Property |
| Pvap | 137.69 | kPa | 550.81 | Calculated Property |
| Pvap | 202.64 | kPa | 570.49 | Calculated Property |
| Pvap | [6.69e-04; 257.31] | kPa | [283.15; 585.15] |
KDB Vapor Pressure Data
|
| Equation | ln(Y) = A + B/T + C·ln(T) + D·T² + E/T² Y is Pvap in kPa, T in K | |||
| Coefficient A | 7.59707e+01 | |||
| Coefficient B | -1.02057e+04 | |||
| Coefficient C | -8.38523e+00 | |||
| Coefficient D | 1.31534e-06 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 283.15 | |||
| Temperature range, max. | 585.15 | |||
| Pvap | 6.69e-04 | kPa | 283.15 | Calculated Property |
| Pvap | 0.01 | kPa | 316.71 | Calculated Property |
| Pvap | 0.12 | kPa | 350.26 | Calculated Property |
| Pvap | 0.73 | kPa | 383.82 | Calculated Property |
| Pvap | 3.16 | kPa | 417.37 | Calculated Property |
| Pvap | 10.60 | kPa | 450.93 | Calculated Property |
| Pvap | 29.01 | kPa | 484.48 | Calculated Property |
| Pvap | 67.69 | kPa | 518.04 | Calculated Property |
| Pvap | 138.97 | kPa | 551.59 | Calculated Property |
| Pvap | 257.31 | kPa | 585.15 | Calculated Property |
Similar Compounds
Find more compounds similar to Naphthalene, 1,3-dimethyl-.
Sources
- KDB Vapor Pressure Data
- Jean-Claude Bradley Open Melting Point Dataset (2014, CC0) ChEDL chemicals 1.5.2, from Bradley, J.-C.; Williams, A.; Lang, A. Jean-Claude Bradley Open Melting Point Dataset. Figshare, 2014 (CC0).
- PSRK revision IV (2005), critical constants and acentric factors of 1000 components ChEDL chemicals 1.5.2, from Horstmann, S.; Jabłoniec, A.; Krafczyk, J.; Fischer, K.; Gmehling, J. PSRK Group Contribution Equation of State: Comprehensive Revision and Extension IV, Including Critical Constants and α-Function Parameters for 1000 Components. Fluid Phase Equilib. 2005, 227, 157-164.
- Cheméo Relay (1.0)
- Crippen Method
- Critical properties of some alkylnaphthalenes
- Joback Method
- KDB
- Aqueous Solubility Prediction Method
- Estimated Solubility Method
- McGowan Method
- NIST Webbook
- The Yaws Handbook of Vapor Pressure
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