Chemical Properties of 2-Heptanol, 2-methyl- (CAS 625-25-2)

2-Heptanol, 2-methyl-

InChI
InChI=1S/C8H18O/c1-4-5-6-7-8(2,3)9/h9H,4-7H2,1-3H3
InChI Key
ACBMYYVZWKYLIP-UHFFFAOYSA-N
Formula
C8H18O
SMILES
CCCCCC(C)(C)O
Molecular Weight1
130.23
CAS
625-25-2
Other Names
  • 2-methyl-2-heptanol
  • 2-methylheptan-2-ol
  • dimethylpentylcarbinol
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Physical Properties

Property Value Unit Source
ω 0.7236 ChemSep v8.3 pure component data
ΔfG° -1.23e-06 kJ/mol ChemSep v8.3 pure component data
ΔfH°gas -1.24e-06 kJ/mol ChemSep v8.3 pure component data
ΔfusH° 13.15 kJ/mol Joback Calculated Property
ΔvapH° 62.90 ± 0.20 kJ/mol NIST
IE 9.79 eV Relay (1.0) Calculated Property
log10WS [-1.72; -1.72]   Show Hide
log10WS -1.72 Aq. Solubility Prediction
log10WS -1.72 Estimated Solubility
logPoct/wat 2.338 Crippen Calculated Property
McVol 129.450 ml/mol McGowan Calculated Property
Pc 2716.18 kPa ChemSep v8.3 pure component data
Inp [879.90; 920.00]   Show Hide
Inp 885.00 NIST
Inp Outlier 879.90 NIST
Inp 920.00 NIST
Inp 919.00 NIST
Inp 920.00 NIST
Inp 920.00 NIST
Inp 920.00 NIST
Inp 920.00 NIST
Inp 916.00 NIST
Inp 920.00 NIST
Inp 920.00 NIST
Inp 916.00 NIST
Inp 916.00 NIST
Inp 920.00 NIST
Inp 916.00 NIST
Inp 885.00 NIST
I [1265.00; 1280.00]   Show Hide
I 1265.00 NIST
I 1280.00 NIST
Tboil [428.65; 467.70] K Show Hide
Tboil Outlier 467.70 K ChemSep v8.3 pure component data
Tboil 429.20 K NIST
Tboil 429.25 ± 0.50 K NIST
Tboil 428.65 ± 5.00 K NIST
Tboil 435.15 ± 3.00 K NIST
Tboil 435.15 ± 2.00 K NIST
Tboil 434.65 ± 3.00 K NIST
Tboil 435.15 ± 3.00 K NIST
Tc 636.65 K ChemSep v8.3 pure component data
Tfus 222.95 K Aq. Solubility Prediction
UQi 5.90 ChemSep v8.3 pure component data
URi 6.62 ChemSep v8.3 pure component data
Vc 0.482 m3/kmol ChemSep v8.3 pure component data
Zc 0.2475510 ChemSep v8.3 pure component data
Zra 0.25 ChemSep v8.3 pure component data

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,liquid 337.60 J/mol×K 298.50 NIST
ΔvapH [53.10; 55.00] kJ/mol [384.00; 386.50] Show Hide
ΔvapH 55.00 kJ/mol 384.00 NIST
ΔvapH 53.10 kJ/mol 386.50 NIST
Pvap [0.01; 0.35] kPa [275.40; 314.20] Show Hide
Pvap 0.01 kPa 275.40 Measurement and Prediction of Thermochemical Properties. Improved Benson-Type Increments for the Estimation of Enthalpies of Vaporization and Standard Enthalpies of Formation of Aliphatic Alcohols
Pvap 0.02 kPa 278.40 Measurement and Prediction of Thermochemical Properties. Improved Benson-Type Increments for the Estimation of Enthalpies of Vaporization and Standard Enthalpies of Formation of Aliphatic Alcohols
Pvap 0.02 kPa 281.20 Measurement and Prediction of Thermochemical Properties. Improved Benson-Type Increments for the Estimation of Enthalpies of Vaporization and Standard Enthalpies of Formation of Aliphatic Alcohols
Pvap 0.03 kPa 284.20 Measurement and Prediction of Thermochemical Properties. Improved Benson-Type Increments for the Estimation of Enthalpies of Vaporization and Standard Enthalpies of Formation of Aliphatic Alcohols
Pvap 0.04 kPa 287.20 Measurement and Prediction of Thermochemical Properties. Improved Benson-Type Increments for the Estimation of Enthalpies of Vaporization and Standard Enthalpies of Formation of Aliphatic Alcohols
Pvap 0.05 kPa 290.20 Measurement and Prediction of Thermochemical Properties. Improved Benson-Type Increments for the Estimation of Enthalpies of Vaporization and Standard Enthalpies of Formation of Aliphatic Alcohols
Pvap 0.06 kPa 293.20 Measurement and Prediction of Thermochemical Properties. Improved Benson-Type Increments for the Estimation of Enthalpies of Vaporization and Standard Enthalpies of Formation of Aliphatic Alcohols
Pvap 0.08 kPa 296.20 Measurement and Prediction of Thermochemical Properties. Improved Benson-Type Increments for the Estimation of Enthalpies of Vaporization and Standard Enthalpies of Formation of Aliphatic Alcohols
Pvap 0.11 kPa 299.30 Measurement and Prediction of Thermochemical Properties. Improved Benson-Type Increments for the Estimation of Enthalpies of Vaporization and Standard Enthalpies of Formation of Aliphatic Alcohols
Pvap 0.14 kPa 302.30 Measurement and Prediction of Thermochemical Properties. Improved Benson-Type Increments for the Estimation of Enthalpies of Vaporization and Standard Enthalpies of Formation of Aliphatic Alcohols
Pvap 0.18 kPa 305.20 Measurement and Prediction of Thermochemical Properties. Improved Benson-Type Increments for the Estimation of Enthalpies of Vaporization and Standard Enthalpies of Formation of Aliphatic Alcohols
Pvap 0.23 kPa 308.20 Measurement and Prediction of Thermochemical Properties. Improved Benson-Type Increments for the Estimation of Enthalpies of Vaporization and Standard Enthalpies of Formation of Aliphatic Alcohols
Pvap 0.28 kPa 311.30 Measurement and Prediction of Thermochemical Properties. Improved Benson-Type Increments for the Estimation of Enthalpies of Vaporization and Standard Enthalpies of Formation of Aliphatic Alcohols
Pvap 0.35 kPa 314.20 Measurement and Prediction of Thermochemical Properties. Improved Benson-Type Increments for the Estimation of Enthalpies of Vaporization and Standard Enthalpies of Formation of Aliphatic Alcohols

Pressure Dependent Properties

Property Value Unit Pressure (kPa) Source
Tboilr 340.20 K 2.00 NIST

Correlations

Property Value Unit Temperature (K) Source
Cp,gas [180.51; 500.95] J/mol×K [255.00; 1500.00] ChemSep v8.3 pure component data Show Hide
EquationY = A + exp(B/T + C + D·T + E·T²)
Y is Cp,gas in J/mol×K, T in K
Coefficient A1.02179e+02
Coefficient B-5.00000e+02
Coefficient C6.32172e+00
Coefficient D0.00000e+00
Coefficient E0.00000e+00
CommentChemSep eq 16, IdealGasHeatCapacityCp
Temperature range, min.255.00
Temperature range, max.1500.00
Cp,gas 180.51 J/mol×K 255.00 Calculated Property
Cp,gas 258.29 J/mol×K 393.33 Calculated Property
Cp,gas 319.48 J/mol×K 531.67 Calculated Property
Cp,gas 366.05 J/mol×K 670.00 Calculated Property
Cp,gas 401.99 J/mol×K 808.33 Calculated Property
Cp,gas 430.36 J/mol×K 946.67 Calculated Property
Cp,gas 453.22 J/mol×K 1085.00 Calculated Property
Cp,gas 471.99 J/mol×K 1223.33 Calculated Property
Cp,gas 487.67 J/mol×K 1361.67 Calculated Property
Cp,gas 500.95 J/mol×K 1500.00 Calculated Property
Property Value Unit Temperature (K) Source
η [0.2292863; 0.0002611] Pa×s [222.95; 445.66] Joback Predicted correlation Show Hide
EquationY = exp(A + B/T + C·ln(T) + D·T^E)
Y is η in Pa×s, T in K
Coefficient A-1.50357e+01
Coefficient B3.02385e+03
Coefficient C0.00000e+00
Coefficient D0.00000e+00
Coefficient E0.00000e+00
CommentLiquid phase. Joback/Reid (1987), valid from Tf to 0.7·Tc.
Temperature range, min.222.95
Temperature range, max.445.66
η 0.2292863 Pa×s 222.95 Calculated Property
η 0.0591460 Pa×s 247.70 Calculated Property
η 0.0195150 Pa×s 272.44 Calculated Property
η 0.0077447 Pa×s 297.19 Calculated Property
η 0.0035428 Pa×s 321.93 Calculated Property
η 0.0018121 Pa×s 346.68 Calculated Property
η 0.0010134 Pa×s 371.42 Calculated Property
η 0.0006095 Pa×s 396.17 Calculated Property
η 0.0003891 Pa×s 420.91 Calculated Property
η 0.0002611 Pa×s 445.66 Calculated Property
Property Value Unit Temperature (K) Source
ΔvapH [60.13; 0.78] kJ/mol [327.39; 636.65] ChemSep v8.3 pure component data 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 A7.91140e+01
Coefficient B3.80000e-01
Coefficient C0.00000e+00
Coefficient D0.00000e+00
Coefficient E0.00000e+00
Critical temperature, Tc (K)6.36653e+02
CommentChemSep eq 106, HeatOfVaporization
Temperature range, min.327.39
Temperature range, max.636.65
ΔvapH 60.13 kJ/mol 327.39 Calculated Property
ΔvapH 57.50 kJ/mol 361.75 Calculated Property
ΔvapH 54.65 kJ/mol 396.11 Calculated Property
ΔvapH 51.54 kJ/mol 430.48 Calculated Property
ΔvapH 48.09 kJ/mol 464.84 Calculated Property
ΔvapH 44.18 kJ/mol 499.20 Calculated Property
ΔvapH 39.61 kJ/mol 533.56 Calculated Property
ΔvapH 33.95 kJ/mol 567.93 Calculated Property
ΔvapH 26.09 kJ/mol 602.29 Calculated Property
ΔvapH 0.78 kJ/mol 636.65 Calculated Property
Property Value Unit Temperature (K) Source
Pvap [1.33; 202.67] kPa [332.67; 456.17] The Yaws Handbook of Vapor Pressure Show Hide
Equationln(Y) = A + B/(T + C)
Y is Pvap in kPa, T in K
Coefficient A1.49721e+01
Coefficient B-3.48722e+03
Coefficient C-9.51910e+01
Temperature range, min.332.67
Temperature range, max.456.17
Pvap 1.33 kPa 332.67 Calculated Property
Pvap 2.97 kPa 346.39 Calculated Property
Pvap 6.10 kPa 360.11 Calculated Property
Pvap 11.67 kPa 373.84 Calculated Property
Pvap 21.00 kPa 387.56 Calculated Property
Pvap 35.85 kPa 401.28 Calculated Property
Pvap 58.45 kPa 415.00 Calculated Property
Pvap 91.53 kPa 428.73 Calculated Property
Pvap 138.36 kPa 442.45 Calculated Property
Pvap 202.67 kPa 456.17 Calculated Property

Similar Compounds

2-Octanol, 2-methyl-. 2-Methyldecan-2-ol. 2-Methyltetradecan-2-ol. 2-DODECANOL, 2-METHYL-. 2-Methyl-2-nonanol. 2,11-Dodecanediol, 2,11-dimethyl-. 2,7-Dimethyl-2,7-octanediol. 2-Hexanol, 2-methyl-. 4-Nonanol, 4-methyl-. Cyclohexanol, 1-methyl-. 2-Heptanol, 2,6-dimethyl-. 1-Methylcyclooctanol. 1-Methylcycloheptanol. 5-Nonanol, 5-methyl-. 3-Octanol, 3-methyl-.

Find more compounds similar to 2-Heptanol, 2-methyl-.

Sources

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