Chemical Properties of Propane, 2-methoxy- (CAS 598-53-8)

Propane, 2-methoxy-

InChI
InChI=1S/C4H10O/c1-4(2)5-3/h4H,1-3H3
InChI Key
RMGHERXMTMUMMV-UHFFFAOYSA-N
Formula
C4H10O
SMILES
COC(C)C
Molecular Weight1
74.12
CAS
598-53-8
Other Names
  • 2-Methoxypropane
  • Ether, isopropyl methyl
  • Isopropyl methyl ether
  • Isopryl
  • Methyl isopropyl ether
  • i-C3H7OCH3
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Physical Properties

Property Value Unit Source
ω [0.2633; 0.2660]   Show Hide
ω 0.2633 PSRK revision IV (2005), critical constants and acentric factors of 1000 components Compiled value
ω 0.2656 ChemSep v8.3 pure component data Compiled value
ω 0.2660 KDB
PAff 826.30 kJ/mol NIST
BasG 797.10 kJ/mol NIST
ΔcH°gas -2751.10 ± 0.92 kJ/mol NIST
μ 1.25 debye ChemSep v8.3 pure component data Compiled value
ΔfG° [-121.00; -120.90] kJ/mol Show Hide
ΔfG° -120.90 kJ/mol ChemSep v8.3 pure component data Compiled value
ΔfG° -121.00 kJ/mol KDB
ΔfH°gas [-252.20; -252.00] kJ/mol Show Hide
ΔfH°gas -252.00 kJ/mol ChemSep v8.3 pure component data Compiled value
ΔfH°gas -252.20 kJ/mol KDB
ΔfH°gas -252.00 ± 0.96 kJ/mol NIST
ΔfusH° 3.78 kJ/mol Joback Calculated Property
ΔvapH° [26.40; 26.78] kJ/mol Show Hide
ΔvapH° 26.78 kJ/mol NIST
ΔvapH° 26.41 kJ/mol NIST
ΔvapH° 26.40 ± 0.10 kJ/mol NIST
ΔvapH° 26.40 kJ/mol NIST
IE [9.42; 9.50] eV Show Hide
IE 9.45 ± 0.04 eV NIST
IE 9.50 eV NIST
IE 9.42 ± 0.07 eV NIST
IE 9.42 eV NIST
log10WS -0.06 Aq. Solubility Prediction
logPoct/wat 1.041 Crippen Calculated Property
McVol 73.090 ml/mol McGowan Calculated Property
Pc [3759.16; 3762.00] kPa Show Hide
Pc 3762.00 kPa IUPAC Vapor-Liquid Critical Properties of Elements and Compounds, part 7 Compiled value
Pc 3759.16 kPa PSRK revision IV (2005), critical constants and acentric factors of 1000 components Compiled value
Pc 3762.00 kPa ChemSep v8.3 pure component data Compiled value
Pc 3762.00 kPa KDB
Pc 3762.00 ± 4.00 kPa NIST
Ptriple 3.32e-06 kPa ChemSep v8.3 pure component data Compiled value
S°gas 341.60 J/mol×K NIST
S°liquid 253.70 J/mol×K NIST
Tboil [303.90; 303.92] K Show Hide
Tboil 303.92 K ChemSep v8.3 pure component data Compiled value
Tboil 303.92 K KDB
Tboil 303.90 K NIST
Tc [464.40; 464.50] K Show Hide
Tc Outlier 464.40 K IUPAC Vapor-Liquid Critical Properties of Elements and Compounds, part 7 Compiled value
Tc 464.50 K PSRK revision IV (2005), critical constants and acentric factors of 1000 components Compiled value
Tc 464.48 K ChemSep v8.3 pure component data Compiled value
Tc 464.48 K KDB
Tc 464.50 K NIST
Tc 464.48 ± 0.20 K NIST
Tfus 127.93 K ChemSep v8.3 pure component data Compiled value
Ttriple [123.06; 127.93] K Show Hide
Ttriple 127.93 K ChemSep v8.3 pure component data Compiled value
Ttriple 127.93 ± 0.05 K NIST
Ttriple 127.93 ± 0.05 K NIST
Ttriple 123.06 ± 0.10 K NIST
Ttriple 127.93 ± 0.05 K NIST
Ttriple 123.06 ± 0.10 K NIST
UQi 3.01 ChemSep v8.3 pure component data Compiled value
URi 3.39 ChemSep v8.3 pure component data Compiled value
Vc [0.276; 0.277] m3/kmol Show Hide
Vc 0.277 m3/kmol PSRK revision IV (2005), critical constants and acentric factors of 1000 components Compiled value
Vc 0.276 m3/kmol ChemSep v8.3 pure component data Compiled value
Zc 0.2690000 ChemSep v8.3 pure component data Compiled value
Zra 0.27 ChemSep v8.3 pure component data Compiled value

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,liquid 161.90 J/mol×K 298.15 NIST
ΔfusH [5.85; 5.85] kJ/mol [127.30; 127.30] Show Hide
ΔfusH 5.85 kJ/mol 127.30 NIST
ΔfusH 5.85 kJ/mol 127.30 NIST
ΔvapH [26.05; 28.80] kJ/mol [287.50; 303.90] Show Hide
ΔvapH 28.80 kJ/mol 287.50 NIST
ΔvapH 28.40 kJ/mol 292.50 NIST
ΔvapH 26.05 kJ/mol 303.90 NIST
ρl 724.00 kg/m3 288.00 KDB

Correlations

Property Value Unit Temperature (K) Source
Cp,gas [91.74; 287.35] J/mol×K [200.00; 1500.00] ChemSep v8.3 pure component data Compiled value Show Hide
EquationY = A + exp(B/T + C + D·T + E·T²)
Y is Cp,gas in J/mol×K, T in K
Coefficient A8.42630e+01
Coefficient B-7.98100e+02
Coefficient C6.03724e+00
Coefficient D-1.82160e-04
Coefficient E3.63160e-08
Temperature range, min.200.00
Temperature range, max.1500.00
Cp,gas 91.74 J/mol×K 200.00 Calculated Property
Cp,gas 123.19 J/mol×K 344.44 Calculated Property
Cp,gas 159.78 J/mol×K 488.89 Calculated Property
Cp,gas 191.63 J/mol×K 633.33 Calculated Property
Cp,gas 217.40 J/mol×K 777.78 Calculated Property
Cp,gas 237.92 J/mol×K 922.22 Calculated Property
Cp,gas 254.30 J/mol×K 1066.67 Calculated Property
Cp,gas 267.52 J/mol×K 1211.11 Calculated Property
Cp,gas 278.35 J/mol×K 1355.56 Calculated Property
Cp,gas 287.35 J/mol×K 1500.00 Calculated Property
Property Value Unit Temperature (K) Source
Cp,liquid [135.70; 178.82] J/mol×K [127.93; 342.25] ChemSep v8.3 pure component data Compiled value Show Hide
EquationY = A + exp(B/T + C + D·T + E·T²)
Y is Cp,liquid in J/mol×K, T in K
Coefficient A1.23760e+02
Coefficient B1.90200e+02
Coefficient C-9.19955e-01
Coefficient D1.62590e-02
Coefficient E-1.01760e-05
Temperature range, min.127.93
Temperature range, max.342.25
Cp,liquid 135.70 J/mol×K 127.93 Calculated Property
Cp,liquid 136.78 J/mol×K 151.74 Calculated Property
Cp,liquid 138.70 J/mol×K 175.56 Calculated Property
Cp,liquid 141.42 J/mol×K 199.37 Calculated Property
Cp,liquid 144.96 J/mol×K 223.18 Calculated Property
Cp,liquid 149.43 J/mol×K 247.00 Calculated Property
Cp,liquid 154.92 J/mol×K 270.81 Calculated Property
Cp,liquid 161.57 J/mol×K 294.62 Calculated Property
Cp,liquid 169.50 J/mol×K 318.44 Calculated Property
Cp,liquid 178.82 J/mol×K 342.25 Calculated Property
Property Value Unit Temperature (K) Source
η [0.0047209; 0.0000792] Pa×s [127.93; 450.00] ChemSep v8.3 pure component data Compiled value Show Hide
EquationY = exp(A + B/T + C·ln(T) + D·T^E)
Y is η in Pa×s, T in K
Coefficient A-1.08840e+01
Coefficient B7.30800e+02
Coefficient C-3.88810e-02
Coefficient D2.67640e-07
Coefficient E2.00000e+00
Temperature range, min.127.93
Temperature range, max.450.00
η 0.0047209 Pa×s 127.93 Calculated Property
η 0.0013452 Pa×s 163.72 Calculated Property
η 0.0006015 Pa×s 199.50 Calculated Property
η 0.0003438 Pa×s 235.29 Calculated Property
η 0.0002280 Pa×s 271.07 Calculated Property
η 0.0001666 Pa×s 306.86 Calculated Property
η 0.0001302 Pa×s 342.64 Calculated Property
η 0.0001067 Pa×s 378.43 Calculated Property
η 0.0000907 Pa×s 414.21 Calculated Property
η 0.0000792 Pa×s 450.00 Calculated Property
Property Value Unit Temperature (K) Source
ΔvapH [34.17; 11.67] kJ/mol [127.93; 446.77] ChemSep v8.3 pure component data Compiled value Show Hide
EquationY = A·(1 − Tr)^(B + C·Tr + D·Tr² + E·Tr³), Tr = T/Tc
Y is ΔvapH in kJ/mol, T in K
Coefficient A4.28110e+01
Coefficient B1.21960e+00
Coefficient C-2.65720e+00
Coefficient D3.17060e+00
Coefficient E-1.34770e+00
Critical temperature, Tc (K)4.64480e+02
Temperature range, min.127.93
Temperature range, max.446.77
ΔvapH 34.17 kJ/mol 127.93 Calculated Property
ΔvapH 32.74 kJ/mol 163.36 Calculated Property
ΔvapH 31.36 kJ/mol 198.78 Calculated Property
ΔvapH 29.87 kJ/mol 234.21 Calculated Property
ΔvapH 28.17 kJ/mol 269.64 Calculated Property
ΔvapH 26.17 kJ/mol 305.06 Calculated Property
ΔvapH 23.80 kJ/mol 340.49 Calculated Property
ΔvapH 20.94 kJ/mol 375.92 Calculated Property
ΔvapH 17.34 kJ/mol 411.34 Calculated Property
ΔvapH 11.67 kJ/mol 446.77 Calculated Property
Property Value Unit Temperature (K) Source
Pvap [1.33; 202.69] kPa [220.08; 324.64] The Yaws Handbook of Vapor Pressure Show Hide
Equationln(Y) = A + B/(T + C)
Y is Pvap in kPa, T in K
Coefficient A1.45190e+01
Coefficient B-2.72698e+03
Coefficient C-2.84640e+01
Temperature range, min.220.08
Temperature range, max.324.64
Pvap 1.33 kPa 220.08 Calculated Property
Pvap 3.01 kPa 231.70 Calculated Property
Pvap 6.21 kPa 243.32 Calculated Property
Pvap 11.91 kPa 254.93 Calculated Property
Pvap 21.44 kPa 266.55 Calculated Property
Pvap 36.53 kPa 278.17 Calculated Property
Pvap 59.36 kPa 289.79 Calculated Property
Pvap 92.56 kPa 301.40 Calculated Property
Pvap 139.18 kPa 313.02 Calculated Property
Pvap 202.69 kPa 324.64 Calculated Property
Pvap [3.30e-06; 3718.35] kPa [127.93; 464.48] ChemSep v8.3 pure component data Compiled value Show Hide
EquationY = exp(A + B/T + C·ln(T) + D·T^E)
Y is Pvap in kPa, T in K
Coefficient A5.46705e+01
Coefficient B-4.87416e+03
Coefficient C-6.03416e+00
Coefficient D5.09716e-06
Coefficient E2.00000e+00
Temperature range, min.127.93
Temperature range, max.464.48
Pvap 3.30e-06 kPa 127.93 Calculated Property
Pvap 4.11e-03 kPa 165.32 Calculated Property
Pvap 0.30 kPa 202.72 Calculated Property
Pvap 4.91 kPa 240.11 Calculated Property
Pvap 34.87 kPa 277.51 Calculated Property
Pvap 146.57 kPa 314.90 Calculated Property
Pvap 437.26 kPa 352.30 Calculated Property
Pvap 1033.65 kPa 389.69 Calculated Property
Pvap 2077.17 kPa 427.09 Calculated Property
Pvap 3718.35 kPa 464.48 Calculated Property
Pvap [2.39e-06; 3719.20] kPa [127.93; 464.50] KDB Vapor Pressure Data Show Hide
Equationln(Y) = A + B/T + C·ln(T) + D·T² + E/T²
Y is Pvap in kPa, T in K
Coefficient A5.79811e+01
Coefficient B-5.03717e+03
Coefficient C-6.52061e+00
Coefficient D5.22467e-06
Coefficient E0.00000e+00
Temperature range, min.127.93
Temperature range, max.464.50
Pvap 2.39e-06 kPa 127.93 Calculated Property
Pvap 3.51e-03 kPa 165.33 Calculated Property
Pvap 0.28 kPa 202.72 Calculated Property
Pvap 4.78 kPa 240.12 Calculated Property
Pvap 34.76 kPa 277.52 Calculated Property
Pvap 147.72 kPa 314.91 Calculated Property
Pvap 442.23 kPa 352.31 Calculated Property
Pvap 1044.21 kPa 389.71 Calculated Property
Pvap 2089.87 kPa 427.10 Calculated Property
Pvap 3719.20 kPa 464.50 Calculated Property
Property Value Unit Temperature (K) Source
ρl [883.96; 443.90] kg/m3 [127.93; 446.77] ChemSep v8.3 pure component data Compiled value Show Hide
EquationY = A / B^(1 + (1 − T/C)^D)
Y is ρl in kg/m3, T in K
Coefficient A6.08494e+01
Coefficient B2.47980e-01
Coefficient C4.64480e+02
Coefficient D2.61840e-01
Temperature range, min.127.93
Temperature range, max.446.77
ρl 883.96 kg/m3 127.93 Calculated Property
ρl 852.03 kg/m3 163.36 Calculated Property
ρl 818.51 kg/m3 198.78 Calculated Property
ρl 783.04 kg/m3 234.21 Calculated Property
ρl 745.10 kg/m3 269.64 Calculated Property
ρl 703.92 kg/m3 305.06 Calculated Property
ρl 658.23 kg/m3 340.49 Calculated Property
ρl 605.67 kg/m3 375.92 Calculated Property
ρl 540.89 kg/m3 411.34 Calculated Property
ρl 443.90 kg/m3 446.77 Calculated Property
Property Value Unit Temperature (K) Source
γ [0.04; 7.65e-04] N/m [127.93; 446.77] ChemSep v8.3 pure component data Compiled value Show Hide
EquationY = A + exp(B/T + C + D·T + E·T²)
Y is γ in N/m, T in K
Coefficient A-1.26570e-02
Coefficient B1.80150e+01
Coefficient C-2.98040e+00
Coefficient D-5.20110e-04
Coefficient E-5.70320e-06
Temperature range, min.127.93
Temperature range, max.446.77
γ 0.04 N/m 127.93 Calculated Property
γ 0.03 N/m 163.36 Calculated Property
γ 0.03 N/m 198.78 Calculated Property
γ 0.02 N/m 234.21 Calculated Property
γ 0.02 N/m 269.64 Calculated Property
γ 0.01 N/m 305.06 Calculated Property
γ 0.01 N/m 340.49 Calculated Property
γ 0.01 N/m 375.92 Calculated Property
γ 0.00 N/m 411.34 Calculated Property
γ 7.65e-04 N/m 446.77 Calculated Property
Property Value Unit Temperature (K) Source
λgas [0.00; 0.09] W/m×K [127.93; 1000.00] ChemSep v8.3 pure component data Compiled value Show Hide
EquationY = A·T^B / (1 + C/T + D/T²)
Y is λgas in W/m×K, T in K
Coefficient A1.36750e+00
Coefficient B-1.40710e-01
Coefficient C1.44620e+03
Coefficient D3.03050e+06
Temperature range, min.127.93
Temperature range, max.1000.00
λgas 0.00 W/m×K 127.93 Calculated Property
λgas 0.01 W/m×K 224.83 Calculated Property
λgas 0.02 W/m×K 321.72 Calculated Property
λgas 0.03 W/m×K 418.62 Calculated Property
λgas 0.04 W/m×K 515.52 Calculated Property
λgas 0.05 W/m×K 612.41 Calculated Property
λgas 0.06 W/m×K 709.31 Calculated Property
λgas 0.07 W/m×K 806.21 Calculated Property
λgas 0.08 W/m×K 903.10 Calculated Property
λgas 0.09 W/m×K 1000.00 Calculated Property
Property Value Unit Temperature (K) Source
λliquid [0.19; 0.10] W/m×K [127.93; 370.00] ChemSep v8.3 pure component data Compiled value Show Hide
EquationY = A + exp(B/T + C + D·T + E·T²)
Y is λliquid in W/m×K, T in K
Coefficient A-2.15670e-01
Coefficient B5.25470e+00
Coefficient C-8.59560e-01
Coefficient D-4.56270e-04
Coefficient E-9.74930e-07
Temperature range, min.127.93
Temperature range, max.370.00
λliquid 0.19 W/m×K 127.93 Calculated Property
λliquid 0.18 W/m×K 154.83 Calculated Property
λliquid 0.17 W/m×K 181.72 Calculated Property
λliquid 0.16 W/m×K 208.62 Calculated Property
λliquid 0.15 W/m×K 235.52 Calculated Property
λliquid 0.14 W/m×K 262.41 Calculated Property
λliquid 0.13 W/m×K 289.31 Calculated Property
λliquid 0.12 W/m×K 316.21 Calculated Property
λliquid 0.11 W/m×K 343.10 Calculated Property
λliquid 0.10 W/m×K 370.00 Calculated Property

Similar Compounds

Diisopropyl ether. Propane, 2-ethoxy-. Propyl-d1-formate. Formic acid, 1-methylethyl ester. Propane, 1-bromo-2-methoxy. Propane, 2,2'-[methylenebis(oxy)]bis-. Oxirane, methyl-, (S)-. Propylene oxide. Methane, methoxy-isopropoxy. Propane, 2-(ethenyloxy)-. Propane, 2-methyl-2-(1-methylethoxy)-. cyclopropyl methyl ether. ISOPROPYL CHLOROFORMATE. Ethyl, 1-methoxy-. Ethoxyisopropoxymethane.

Find more compounds similar to Propane, 2-methoxy-.

Sources

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