Chemical Properties of Heptane, 2,2-dimethyl- (CAS 1071-26-7)

Heptane, 2,2-dimethyl-

InChI
InChI=1S/C9H20/c1-5-6-7-8-9(2,3)4/h5-8H2,1-4H3
InChI Key
PSABUFWDVWCFDP-UHFFFAOYSA-N
Formula
C9H20
SMILES
CCCCCC(C)(C)C
Molecular Weight1
128.26
CAS
1071-26-7
Other Names
  • 2,2-Dimethylheptane
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Physical Properties

Property Value Unit Source
ω [0.3830; 0.3900]   Show Hide
ω 0.3830 ChemSep v8.3 pure component data Compiled value
ω 0.3900 KDB
AP 352.150 K KDB
ΔcH°liquid -6111.74 ± 0.84 kJ/mol NIST
μ 0.00 debye ChemSep v8.3 pure component data Compiled value
ΔfG° [16.75; 17.90] kJ/mol Show Hide
ΔfG° 17.90 kJ/mol ChemSep v8.3 pure component data Compiled value
ΔfG° 16.75 kJ/mol KDB
Δc,grossH 6111.74 kJ/mol KDB
Δc,netH 5671.622 kJ/mol KDB
ΔfH°gas [-247.00; -246.10] kJ/mol Show Hide
ΔfH°gas -246.10 kJ/mol ChemSep v8.3 pure component data Compiled value
ΔfH°gas -247.00 kJ/mol KDB
ΔfH°gas -246.10 kJ/mol NIST
ΔfH°liquid -288.20 ± 1.00 kJ/mol NIST
ΔfusH° 11.65 kJ/mol Joback Calculated Property
ΔvapH° 42.30 kJ/mol NIST
IE 9.50 eV Relay (1.0) Calculated Property
log10WS -5.30 Relay (1.0) Calculated Property
logPoct/wat 3.613 Crippen Calculated Property
McVol 137.670 ml/mol McGowan Calculated Property
Pc [2350.00; 2350.00] kPa Show Hide
Pc 2350.00 kPa IUPAC Vapor-Liquid Critical Properties of Elements and Compounds, part 5 Compiled value
Pc 2350.00 kPa ChemSep v8.3 pure component data Compiled value
Pc 2350.00 kPa KDB
Pc 2350.00 ± 40.00 kPa NIST
Pc 2350.00 ± 41.37 kPa NIST
Ptriple 1.53e-07 kPa ChemSep v8.3 pure component data Compiled value
Inp [808.00; 829.90]   Show Hide
Inp 816.00 NIST
Inp 815.00 NIST
Inp 813.00 NIST
Inp 815.00 NIST
Inp 818.00 NIST
Inp 815.10 NIST
Inp 816.10 NIST
Inp 820.00 NIST
Inp 820.00 NIST
Inp 817.10 NIST
Inp 816.00 NIST
Inp 816.50 NIST
Inp 817.10 NIST
Inp 817.70 NIST
Inp 811.60 NIST
Inp 814.20 NIST
Inp 815.00 NIST
Inp 816.00 NIST
Inp 810.00 NIST
Inp 811.00 NIST
Inp 811.00 NIST
Inp 812.00 NIST
Inp 813.00 NIST
Inp 820.00 NIST
Inp Outlier 808.00 NIST
Inp 816.00 NIST
Inp 817.00 NIST
Inp 815.00 NIST
Inp 816.00 NIST
Inp 817.00 NIST
Inp 817.00 NIST
Inp 812.00 NIST
Inp Outlier 829.90 NIST
Inp 816.00 NIST
Inp Outlier 824.70 NIST
Inp 818.90 NIST
Inp 816.53 NIST
Inp 818.34 NIST
Inp 820.00 NIST
Inp 819.00 NIST
Inp 817.00 NIST
Inp 819.00 NIST
Inp 815.00 NIST
Inp 819.00 NIST
Inp 820.00 NIST
Inp 818.00 NIST
Inp 817.00 NIST
Inp 820.00 NIST
Inp 818.00 NIST
Inp 818.00 NIST
Inp 815.00 NIST
Inp 816.00 NIST
Inp 816.00 NIST
Inp 819.00 NIST
Inp 814.00 NIST
Inp 817.00 NIST
Inp Outlier 829.90 NIST
Inp 819.00 NIST
Inp 815.00 NIST
Tboil [401.15; 406.04] K Show Hide
Tboil 405.97 K ChemSep v8.3 pure component data Compiled value
Tboil 405.80 K KDB
Tboil 405.90 ± 0.40 K NIST
Tboil 404.65 ± 2.00 K NIST
Tboil Outlier 401.15 ± 2.00 K NIST
Tboil 405.87 ± 0.30 K NIST
Tboil 406.04 ± 0.20 K NIST
Tboil 406.04 ± 0.30 K NIST
Tboil 405.99 ± 0.30 K NIST
Tboil 405.45 ± 0.60 K NIST
Tboil 405.84 ± 0.50 K NIST
Tboil 403.65 ± 1.50 K NIST
Tboil 403.55 ± 1.00 K NIST
Tc [576.69; 577.80] K Show Hide
Tc 576.70 K IUPAC Vapor-Liquid Critical Properties of Elements and Compounds, part 5 Compiled value
Tc 577.80 K ChemSep v8.3 pure component data Compiled value
Tc 576.70 K KDB
Tc 576.70 ± 0.50 K NIST
Tc 576.69 ± 0.50 K NIST
Tfus [159.84; 160.15] K Show Hide
Tfus 160.15 K Jean-Claude Bradley Open Melting Point Dataset (2014, CC0) Compiled value
Tfus 160.15 K ChemSep v8.3 pure component data Compiled value
Tfus 160.00 K KDB
Tfus 160.11 ± 0.04 K NIST
Tfus 160.12 ± 0.03 K NIST
Tfus 160.15 ± 0.02 K NIST
Tfus 160.11 ± 0.05 K NIST
Tfus 160.12 ± 0.03 K NIST
Tfus 160.15 ± 0.02 K NIST
Tfus 160.01 ± 0.20 K NIST
Tfus 159.84 ± 0.30 K NIST
Tfus 160.01 ± 0.30 K NIST
Tfus 159.84 ± 0.30 K NIST
Tfus 159.87 ± 0.20 K NIST
Ttriple 160.15 K ChemSep v8.3 pure component data Compiled value
UQi 5.55 ChemSep v8.3 pure component data Compiled value
URi 6.52 ChemSep v8.3 pure component data Compiled value
Vc [0.525; 0.528] m3/kmol Show Hide
Vc 0.525 m3/kmol ChemSep v8.3 pure component data Compiled value
Vc 0.528 m3/kmol KDB
Zc [0.2570000; 0.2590160]   Show Hide
Zc 0.2570000 ChemSep v8.3 pure component data Compiled value
Zc 0.2590160 KDB
Zra 0.26 ChemSep v8.3 pure component data Compiled value

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
ΔvapH 34.77 kJ/mol 405.90 KDB
n0 1.39930 298.15 KDB
ρl 711.00 kg/m3 293.00 KDB
γ 0.02 N/m 298.20 KDB

Correlations

Property Value Unit Temperature (K) Source
Cp,gas [132.86; 585.09] J/mol×K [150.00; 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 A1.19340e+02
Coefficient B-5.82530e+02
Coefficient C6.47824e+00
Coefficient D6.76750e-05
Coefficient E-2.12290e-08
Temperature range, min.150.00
Temperature range, max.1500.00
Cp,gas 132.86 J/mol×K 150.00 Calculated Property
Cp,gas 214.43 J/mol×K 300.00 Calculated Property
Cp,gas 302.41 J/mol×K 450.00 Calculated Property
Cp,gas 374.10 J/mol×K 600.00 Calculated Property
Cp,gas 430.51 J/mol×K 750.00 Calculated Property
Cp,gas 475.26 J/mol×K 900.00 Calculated Property
Cp,gas 511.28 J/mol×K 1050.00 Calculated Property
Cp,gas 540.68 J/mol×K 1200.00 Calculated Property
Cp,gas 564.94 J/mol×K 1350.00 Calculated Property
Cp,gas 585.09 J/mol×K 1500.00 Calculated Property
Property Value Unit Temperature (K) Source
Cp,liquid [219.27; 344.33] J/mol×K [160.15; 405.84] 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 A1.88490e+02
Coefficient B-1.26200e+02
Coefficient C3.25324e+00
Coefficient D6.53610e-03
Coefficient E-3.31540e-06
Temperature range, min.160.15
Temperature range, max.405.84
Cp,liquid 219.27 J/mol×K 160.15 Calculated Property
Cp,liquid 228.48 J/mol×K 187.45 Calculated Property
Cp,liquid 238.70 J/mol×K 214.75 Calculated Property
Cp,liquid 250.03 J/mol×K 242.05 Calculated Property
Cp,liquid 262.53 J/mol×K 269.35 Calculated Property
Cp,liquid 276.28 J/mol×K 296.64 Calculated Property
Cp,liquid 291.32 J/mol×K 323.94 Calculated Property
Cp,liquid 307.68 J/mol×K 351.24 Calculated Property
Cp,liquid 325.35 J/mol×K 378.54 Calculated Property
Cp,liquid 344.33 J/mol×K 405.84 Calculated Property
Property Value Unit Temperature (K) Source
η [0.0254001; 0.0001582] Pa×s [160.15; 462.40] 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-1.16540e+01
Coefficient B1.25040e+03
Coefficient C3.44500e-02
Coefficient D-6.06180e-08
Coefficient E2.00000e+00
Temperature range, min.160.15
Temperature range, max.462.40
η 0.0254001 Pa×s 160.15 Calculated Property
η 0.0066005 Pa×s 193.73 Calculated Property
η 0.0025555 Pa×s 227.32 Calculated Property
η 0.0012636 Pa×s 260.90 Calculated Property
η 0.0007338 Pa×s 294.48 Calculated Property
η 0.0004763 Pa×s 328.07 Calculated Property
η 0.0003350 Pa×s 361.65 Calculated Property
η 0.0002501 Pa×s 395.23 Calculated Property
η 0.0001954 Pa×s 428.82 Calculated Property
η 0.0001582 Pa×s 462.40 Calculated Property
Property Value Unit Temperature (K) Source
ΔvapH [49.36; 5.74] kJ/mol [160.15; 576.70] 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 A5.67758e+01
Coefficient B4.20266e-01
Coefficient C6.06766e-02
Coefficient D-5.89710e-02
Coefficient E-5.65229e-02
Critical temperature, Tc (K)5.77800e+02
Temperature range, min.160.15
Temperature range, max.576.70
ΔvapH 49.36 kJ/mol 160.15 Calculated Property
ΔvapH 46.91 kJ/mol 206.43 Calculated Property
ΔvapH 44.32 kJ/mol 252.72 Calculated Property
ΔvapH 41.56 kJ/mol 299.00 Calculated Property
ΔvapH 38.62 kJ/mol 345.28 Calculated Property
ΔvapH 35.42 kJ/mol 391.57 Calculated Property
ΔvapH 31.85 kJ/mol 437.85 Calculated Property
ΔvapH 27.60 kJ/mol 484.13 Calculated Property
ΔvapH 21.81 kJ/mol 530.42 Calculated Property
ΔvapH 5.74 kJ/mol 576.70 Calculated Property
Property Value Unit Temperature (K) Source
Pvap [1.33; 202.64] kPa [295.68; 433.29] The Yaws Handbook of Vapor Pressure Show Hide
Equationln(Y) = A + B/(T + C)
Y is Pvap in kPa, T in K
Coefficient A1.43315e+01
Coefficient B-3.46987e+03
Coefficient C-4.86060e+01
Temperature range, min.295.68
Temperature range, max.433.29
Pvap 1.33 kPa 295.68 Calculated Property
Pvap 3.02 kPa 310.97 Calculated Property
Pvap 6.26 kPa 326.26 Calculated Property
Pvap 12.02 kPa 341.55 Calculated Property
Pvap 21.63 kPa 356.84 Calculated Property
Pvap 36.83 kPa 372.13 Calculated Property
Pvap 59.75 kPa 387.42 Calculated Property
Pvap 92.99 kPa 402.71 Calculated Property
Pvap 139.50 kPa 418.00 Calculated Property
Pvap 202.64 kPa 433.29 Calculated Property
Pvap [1.31e-08; 3363.66] kPa [160.15; 576.70] 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 A1.66269e+02
Coefficient B-1.08916e+04
Coefficient C-2.30435e+01
Coefficient D2.17483e-05
Coefficient E2.00000e+00
Temperature range, min.160.15
Temperature range, max.576.70
Pvap 1.31e-08 kPa 160.15 Calculated Property
Pvap 2.28e-04 kPa 206.43 Calculated Property
Pvap 0.05 kPa 252.72 Calculated Property
Pvap 1.53 kPa 299.00 Calculated Property
Pvap 14.05 kPa 345.28 Calculated Property
Pvap 67.66 kPa 391.57 Calculated Property
Pvap 224.80 kPa 437.85 Calculated Property
Pvap 605.37 kPa 484.13 Calculated Property
Pvap 1460.03 kPa 530.42 Calculated Property
Pvap 3363.66 kPa 576.70 Calculated Property
Pvap [5.15e-08; 2348.28] kPa [160.15; 576.80] 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 A1.02542e+02
Coefficient B-8.54380e+03
Coefficient C-1.30419e+01
Coefficient D8.85387e-06
Coefficient E0.00000e+00
Temperature range, min.160.15
Temperature range, max.576.80
Pvap 5.15e-08 kPa 160.15 Calculated Property
Pvap 3.42e-04 kPa 206.44 Calculated Property
Pvap 0.06 kPa 252.74 Calculated Property
Pvap 1.52 kPa 299.03 Calculated Property
Pvap 13.92 kPa 345.33 Calculated Property
Pvap 68.00 kPa 391.62 Calculated Property
Pvap 223.32 kPa 437.92 Calculated Property
Pvap 567.53 kPa 484.21 Calculated Property
Pvap 1219.41 kPa 530.51 Calculated Property
Pvap 2348.28 kPa 576.80 Calculated Property
Property Value Unit Temperature (K) Source
ρl [800.18; 258.00] kg/m3 [160.15; 576.70] 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 A2.55600e+01
Coefficient B1.69440e-01
Coefficient C5.77800e+02
Coefficient D1.90980e-01
Temperature range, min.160.15
Temperature range, max.576.70
ρl 800.18 kg/m3 160.15 Calculated Property
ρl 771.10 kg/m3 206.43 Calculated Property
ρl 740.16 kg/m3 252.72 Calculated Property
ρl 706.90 kg/m3 299.00 Calculated Property
ρl 670.66 kg/m3 345.28 Calculated Property
ρl 630.39 kg/m3 391.57 Calculated Property
ρl 584.29 kg/m3 437.85 Calculated Property
ρl 528.71 kg/m3 484.13 Calculated Property
ρl 453.68 kg/m3 530.42 Calculated Property
ρl 258.00 kg/m3 576.70 Calculated Property
Property Value Unit Temperature (K) Source
γ [0.03; 7.03e-06] N/m [160.15; 573.78] 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-8.02500e-03
Coefficient B4.09380e+01
Coefficient C-3.40140e+00
Coefficient D7.35540e-04
Coefficient E-5.82060e-06
CommentRange stopped where the equation turns negative; ChemSep gives it to 576.7 K.
Temperature range, min.160.15
Temperature range, max.573.78
γ 0.03 N/m 160.15 Calculated Property
γ 0.03 N/m 206.11 Calculated Property
γ 0.02 N/m 252.07 Calculated Property
γ 0.02 N/m 298.03 Calculated Property
γ 0.02 N/m 343.99 Calculated Property
γ 0.01 N/m 389.95 Calculated Property
γ 0.01 N/m 435.91 Calculated Property
γ 0.01 N/m 481.87 Calculated Property
γ 0.00 N/m 527.82 Calculated Property
γ 7.03e-06 N/m 573.78 Calculated Property
Property Value Unit Temperature (K) Source
λgas [0.00; 0.09] W/m×K [160.15; 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 A2.35820e-05
Coefficient B1.19660e+00
Coefficient C-1.48340e+02
Coefficient D1.44910e+05
Temperature range, min.160.15
Temperature range, max.1000.00
λgas 0.00 W/m×K 160.15 Calculated Property
λgas 0.01 W/m×K 253.47 Calculated Property
λgas 0.01 W/m×K 346.78 Calculated Property
λgas 0.02 W/m×K 440.10 Calculated Property
λgas 0.04 W/m×K 533.42 Calculated Property
λgas 0.05 W/m×K 626.73 Calculated Property
λgas 0.06 W/m×K 720.05 Calculated Property
λgas 0.07 W/m×K 813.37 Calculated Property
λgas 0.08 W/m×K 906.68 Calculated Property
λgas 0.09 W/m×K 1000.00 Calculated Property
Property Value Unit Temperature (K) Source
λliquid [0.13; 0.08] W/m×K [160.15; 405.84] 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-4.96100e-02
Coefficient B4.53640e+00
Coefficient C-1.65700e+00
Coefficient D-3.87740e-04
Coefficient E-1.44650e-06
Temperature range, min.160.15
Temperature range, max.405.84
λliquid 0.13 W/m×K 160.15 Calculated Property
λliquid 0.12 W/m×K 187.45 Calculated Property
λliquid 0.12 W/m×K 214.75 Calculated Property
λliquid 0.11 W/m×K 242.05 Calculated Property
λliquid 0.11 W/m×K 269.35 Calculated Property
λliquid 0.10 W/m×K 296.64 Calculated Property
λliquid 0.10 W/m×K 323.94 Calculated Property
λliquid 0.09 W/m×K 351.24 Calculated Property
λliquid 0.09 W/m×K 378.54 Calculated Property
λliquid 0.08 W/m×K 405.84 Calculated Property

Similar Compounds

2,2-Dimethyloctadecane. 2,2-dimethylnonane. 2,2-Dimethyloctane. Undecane, 2,2-dimethyl-. Tetradecane, 2,2-dimethyl-. 2,2-Dimethylicosane. Decane, 2,2-dimethyl-. 2,2-Dimethyltetracosane. 2,2-Dimethylhexadecane. 2,2-Dimethyldocosane. 2,2-Dimethylhexacosane. 2,2-Dimethyldodecane. Hexane, 2,2-dimethyl-. 2,2,7,7-Tetramethyloctane. 2,2,6,6-Tetramethylheptane.

Find more compounds similar to Heptane, 2,2-dimethyl-.

Sources

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