Chemical Properties of 1,4-Butanediol (CAS 110-63-4)

1,4-Butanediol

PDF Excel Molecule Calculator
InChI
InChI=1S/C4H10O2/c5-3-1-2-4-6/h5-6H,1-4H2
InChI Key
WERYXYBDKMZEQL-UHFFFAOYSA-N
Formula
C4H10O2
SMILES
OCCCCO
Molecular Weight1
90.12
CAS
110-63-4
Other Names
  • 1,4-BD
  • 1,4-BUTYLENE GLYCOL
  • 1,4-Dihydroxybutane
  • 1,4-Tetramethylene glycol
  • BDO
  • Butane diol-1,4
  • Butane-1,4-diol
  • Butanediol
  • Butylene glycol
  • Dabco BDO
  • Diol 14B
  • NSC 406696
  • SUCOL B
  • TETRAMETHYLENE GLYCOL
  • Tetramethylene 1,4-diol
Cheméo is a service of Céondo GmbH, since 2007, we provide simulation, modelling and software development services for the industry. Do not hesitate to contact us for your projects.

Physical Properties

Property Value Unit Source
PAff [871.70; 915.60] kJ/mol Show Hide
PAff 915.60 kJ/mol NIST
PAff 875.00 kJ/mol NIST
PAff 871.70 kJ/mol NIST
PAff 884.30 ± 0.50 kJ/mol NIST
BasG [841.20; 854.90] kJ/mol Show Hide
BasG 854.90 kJ/mol NIST
BasG 843.50 kJ/mol NIST
BasG 841.20 kJ/mol NIST
BasG 852.90 ± 0.50 kJ/mol NIST
Δcliquid [-2499.90; -2495.50] kJ/mol Show Hide
Δcliquid -2495.50 ± 5.70 kJ/mol NIST
Δcliquid -2499.90 ± 2.00 kJ/mol NIST
Cp,liquid 203.79 J/mol×K Molar h...
Δf -290.84 kJ/mol Joback Calculated Property
Δfgas [-427.00; -426.00] kJ/mol Show Hide
Δfgas -426.00 ± 5.70 kJ/mol NIST
Δfgas -427.00 ± 3.00 kJ/mol NIST
Δfliquid [-505.30; -503.00] kJ/mol Show Hide
Δfliquid -505.30 ± 5.70 kJ/mol NIST
Δfliquid -503.00 ± 2.00 kJ/mol NIST
Δfus 14.29 kJ/mol Joback Calculated Property
Δvap 57.86 kJ/mol Joback Calculated Property
log10WS -0.02 Crippen Calculated Property
logPoct/wat -0.249 Crippen Calculated Property
McVol 78.960 ml/mol McGowan Calculated Property
NFPA Fire 1 KDB
NFPA Health 1 KDB
Pc 6220.00 ± 150.00 kPa NIST
Inp [900.00; 931.00]   Show Hide
Inp 900.00 NIST
Inp 931.00 NIST
Inp 912.40 NIST
Inp 922.00 NIST
Inp 900.00 NIST
Inp 912.40 NIST
Inp 922.00 NIST
I [1861.00; 1911.00]   Show Hide
I 1890.00 NIST
I 1911.00 NIST
I 1870.00 NIST
I 1911.00 NIST
I 1861.00 NIST
liquid 223.40 J/mol×K NIST
Tboil [501.05; 503.20] K Show Hide
Tboil 501.05 K Isobari...
Tboil 501.15 K Isobari...
Tboil 503.20 K NIST
Tboil 502.88 ± 0.05 K NIST
Tboil 501.15 ± 2.00 K NIST
Tboil 503.15 ± 2.00 K NIST
Tboil 501.15 ± 1.00 K NIST
Tc [727.00; 728.00] K Show Hide
Tc 728.00 K Critica...
Tc 727.00 ± 3.00 K NIST
Tfus [289.40; 355.40] K Show Hide
Tfus 292.80 ± 0.50 K NIST
Tfus Outlier 355.40 ± 1.00 K NIST
Tfus 294.05 ± 0.60 K NIST
Tfus 289.40 ± 1.20 K NIST
Tfus 292.15 ± 2.00 K NIST
Tfus 289.90 ± 3.00 K NIST
Tfus 292.40 ± 0.70 K NIST
Ttriple [289.90; 293.58] K Show Hide
Ttriple 289.90 ± 0.10 K NIST
Ttriple 293.58 ± 0.02 K NIST
Ttriple 293.38 ± 0.10 K NIST
Ttriple 293.58 ± 0.05 K NIST
Vc 0.297 m3/kmol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas [173.07; 208.17] J/mol×K [475.28; 633.81] Show Hide
Cp,gas 173.07 J/mol×K 475.28 Joback Calculated Property
Cp,gas 179.49 J/mol×K 501.70 Joback Calculated Property
Cp,gas 185.68 J/mol×K 528.12 Joback Calculated Property
Cp,gas 191.63 J/mol×K 554.54 Joback Calculated Property
Cp,gas 197.36 J/mol×K 580.97 Joback Calculated Property
Cp,gas 202.87 J/mol×K 607.39 Joback Calculated Property
Cp,gas 208.17 J/mol×K 633.81 Joback Calculated Property
Cp,liquid [178.00; 237.38] J/mol×K [293.15; 353.15] Show Hide
Cp,liquid 200.39 J/mol×K 293.15 Molar h...
Cp,liquid 200.51 J/mol×K 293.15 Heat Ca...
Cp,liquid 201.33 J/mol×K 294.65 Heat Ca...
Cp,liquid 202.16 J/mol×K 296.15 Heat Ca...
Cp,liquid 202.99 J/mol×K 297.65 Heat Ca...
Cp,liquid 178.00 J/mol×K 297.79 NIST
Cp,liquid 203.27 J/mol×K 298.15 Heat Ca...
Cp,liquid 200.10 J/mol×K 298.15 NIST
Cp,liquid 203.06 J/mol×K 298.15 Molar h...
Cp,liquid 203.82 J/mol×K 299.15 Heat Ca...
Cp,liquid 204.67 J/mol×K 300.65 Heat Ca...
Cp,liquid 205.51 J/mol×K 302.15 Heat Ca...
Cp,liquid 205.82 J/mol×K 303.15 Molar h...
Cp,liquid 206.36 J/mol×K 303.65 Heat Ca...
Cp,liquid 207.22 J/mol×K 305.15 Heat Ca...
Cp,liquid 208.08 J/mol×K 306.65 Heat Ca...
Cp,liquid 208.95 J/mol×K 308.15 Heat Ca...
Cp,liquid 208.65 J/mol×K 308.15 Molar h...
Cp,liquid 209.82 J/mol×K 309.65 Heat Ca...
Cp,liquid 210.70 J/mol×K 311.15 Heat Ca...
Cp,liquid 211.58 J/mol×K 312.65 Heat Ca...
Cp,liquid 211.57 J/mol×K 313.15 Molar h...
Cp,liquid 212.47 J/mol×K 314.15 Heat Ca...
Cp,liquid 213.36 J/mol×K 315.65 Heat Ca...
Cp,liquid 214.26 J/mol×K 317.15 Heat Ca...
Cp,liquid 214.55 J/mol×K 318.15 Molar h...
Cp,liquid 215.17 J/mol×K 318.65 Heat Ca...
Cp,liquid 216.08 J/mol×K 320.15 Heat Ca...
Cp,liquid 216.99 J/mol×K 321.65 Heat Ca...
Cp,liquid 217.91 J/mol×K 323.15 Heat Ca...
Cp,liquid 217.61 J/mol×K 323.15 Molar h...
Cp,liquid 218.83 J/mol×K 324.65 Heat Ca...
Cp,liquid 219.76 J/mol×K 326.15 Heat Ca...
Cp,liquid 220.70 J/mol×K 327.65 Heat Ca...
Cp,liquid 220.72 J/mol×K 328.15 Molar h...
Cp,liquid 221.64 J/mol×K 329.15 Heat Ca...
Cp,liquid 222.58 J/mol×K 330.65 Heat Ca...
Cp,liquid 223.53 J/mol×K 332.15 Heat Ca...
Cp,liquid 223.90 J/mol×K 333.15 Molar h...
Cp,liquid 224.49 J/mol×K 333.65 Heat Ca...
Cp,liquid 225.45 J/mol×K 335.15 Heat Ca...
Cp,liquid 226.41 J/mol×K 336.65 Heat Ca...
Cp,liquid 227.12 J/mol×K 338.15 Molar h...
Cp,liquid 227.38 J/mol×K 338.15 Heat Ca...
Cp,liquid 228.36 J/mol×K 339.65 Heat Ca...
Cp,liquid 229.34 J/mol×K 341.15 Heat Ca...
Cp,liquid 230.33 J/mol×K 342.65 Heat Ca...
Cp,liquid 230.40 J/mol×K 343.15 Molar h...
Cp,liquid 231.32 J/mol×K 344.15 Heat Ca...
Cp,liquid 232.32 J/mol×K 345.65 Heat Ca...
Cp,liquid 233.32 J/mol×K 347.15 Heat Ca...
Cp,liquid 233.72 J/mol×K 348.15 Molar h...
Cp,liquid 234.32 J/mol×K 348.65 Heat Ca...
Cp,liquid 235.34 J/mol×K 350.15 Heat Ca...
Cp,liquid 236.35 J/mol×K 351.65 Heat Ca...
Cp,liquid 237.38 J/mol×K 353.15 Heat Ca...
Cp,liquid 237.07 J/mol×K 353.15 Molar h...
η [0.0290542; 0.0972620] Pa×s [293.15; 318.15] Show Hide
η 0.0972620 Pa×s 293.15 Molecul...
η 0.0727454 Pa×s 298.15 Molecul...
η 0.0568860 Pa×s 303.15 Molecul...
η 0.0448850 Pa×s 308.15 Molecul...
η 0.0358106 Pa×s 313.15 Molecul...
η 0.0290542 Pa×s 318.15 Molecul...
ΔfusH [18.70; 18.70] kJ/mol [293.58; 293.60] Show Hide
ΔfusH 18.70 kJ/mol 293.58 NIST
ΔfusH 18.70 kJ/mol 293.60 NIST
ΔfusH 18.70 kJ/mol 293.60 NIST
ΔvapH [72.00; 77.10] kJ/mol [298.15; 445.00] Show Hide
ΔvapH 77.10 kJ/mol 298.15 Vaporiz...
ΔvapH 77.00 ± 2.00 kJ/mol 419.00 NIST
ΔvapH 72.00 kJ/mol 445.00 NIST
Pvap [0.01; 0.66] kPa [329.20; 383.15] Show Hide
Pvap 0.01 kPa 329.20 Thermod...
Pvap 0.02 kPa 332.30 Thermod...
Pvap 0.02 kPa 335.20 Thermod...
Pvap 0.03 kPa 338.20 Thermod...
Pvap 0.04 kPa 339.60 Thermod...
Pvap 0.04 kPa 339.60 Thermod...
Pvap 0.04 kPa 341.20 Thermod...
Pvap 0.05 kPa 343.20 Thermod...
Pvap 0.05 kPa 343.60 Thermod...
Pvap 0.05 kPa 343.60 Thermod...
Pvap 0.06 kPa 346.30 Thermod...
Pvap 0.07 kPa 348.20 Thermod...
Pvap 0.07 kPa 348.60 Thermod...
Pvap 0.07 kPa 348.60 Thermod...
Pvap 0.08 kPa 351.20 Thermod...
Pvap 0.10 kPa 353.20 Thermod...
Pvap 0.10 kPa 353.60 Thermod...
Pvap 0.10 kPa 353.60 Thermod...
Pvap 0.12 kPa 356.20 Thermod...
Pvap 0.14 kPa 358.30 Thermod...
Pvap 0.14 kPa 358.60 Thermod...
Pvap 0.14 kPa 358.60 Thermod...
Pvap 0.17 kPa 361.20 Thermod...
Pvap 0.19 kPa 363.20 Thermod...
Pvap 0.66 kPa 383.15 Vapor-L...
n0 [1.43520; 1.44570]   [293.15; 318.20] Show Hide
n0 1.44510 293.15 Refract...
n0 1.44310 298.15 Refract...
n0 1.44420 298.15 Densiti...
n0 1.44470 298.15 The eff...
n0 1.44570 298.20 A therm...
n0 1.44110 303.15 Refract...
n0 1.43910 308.15 Refract...
n0 1.44220 308.20 A therm...
n0 1.44170 308.20 A therm...
n0 1.43720 313.15 Refract...
n0 1.43520 318.15 Refract...
n0 1.43860 318.20 A therm...
ρl [972.71; 1022.21] kg/m3 [283.15; 363.15] Show Hide
ρl 1022.21 kg/m3 283.15 Excess ...
ρl 1015.76 kg/m3 293.15 Excess ...
ρl 1016.11 kg/m3 293.15 Excess ...
ρl 1016.37 kg/m3 293.15 Densiti...
ρl 1013.04 kg/m3 298.15 Densiti...
ρl 1012.68 kg/m3 298.15 Excess ...
ρl 1012.60 kg/m3 298.15 Densiti...
ρl 1013.06 kg/m3 298.15 Excess ...
ρl 1013.90 kg/m3 298.15 Investi...
ρl 1012.80 kg/m3 298.15 Acousti...
ρl 1012.96 kg/m3 298.15 Isobari...
ρl 1013.04 kg/m3 298.15 Isobari...
ρl 1009.96 kg/m3 303.15 Densiti...
ρl 1009.99 kg/m3 303.15 Excess ...
ρl 1010.60 kg/m3 303.15 Investi...
ρl 1009.60 kg/m3 303.15 Densiti...
ρl 1009.77 kg/m3 303.15 Acousti...
ρl 1009.54 kg/m3 303.15 Excess ...
ρl 1007.50 kg/m3 308.15 Investi...
ρl 1003.95 kg/m3 308.15 Effect ...
ρl 1003.95 kg/m3 308.15 Thermod...
ρl 1003.95 kg/m3 308.15 A compa...
ρl 1003.95 kg/m3 308.15 Effect ...
ρl 1006.75 kg/m3 308.15 Densiti...
ρl 1006.70 kg/m3 308.15 Densiti...
ρl 1006.43 kg/m3 308.15 Excess ...
ρl 1006.74 kg/m3 308.15 Acousti...
ρl 1003.70 kg/m3 313.15 Acousti...
ρl 1003.70 kg/m3 313.15 Densiti...
ρl 1003.85 kg/m3 313.15 Excess ...
ρl 1003.37 kg/m3 313.15 Excess ...
ρl 1003.55 kg/m3 313.15 Densiti...
ρl 1000.72 kg/m3 318.15 Densiti...
ρl 1000.45 kg/m3 318.15 Excess ...
ρl 1000.67 kg/m3 318.15 Acousti...
ρl 997.80 kg/m3 323.15 Densiti...
ρl 997.14 kg/m3 323.15 Excess ...
ρl 997.63 kg/m3 323.15 Acousti...
ρl 994.02 kg/m3 328.15 Excess ...
ρl 994.41 kg/m3 328.15 Densiti...
ρl 990.93 kg/m3 333.15 Excess ...
ρl 987.93 kg/m3 338.15 Excess ...
ρl 984.81 kg/m3 343.15 Excess ...
ρl 981.70 kg/m3 348.15 Excess ...
ρl 978.59 kg/m3 353.15 Excess ...
ρl 972.71 kg/m3 363.15 Excess ...
ΔfusS 63.72 J/mol×K 293.58 NIST

Pressure Dependent Properties

Property Value Unit Pressure (kPa) Source
Tboilr 393.20 K 1.30 NIST

Correlations

Property Value Unit Temperature (K) Source
Pvap [1.33; 202.65] kPa [387.92; 530.19] The Yaw... Show Hide
Equationln(Pvp) = A + B/(T + C)
Coefficient A1.61683e+01
Coefficient B-4.88254e+03
Coefficient C-8.04700e+01
Temperature range, min.387.92
Temperature range, max.530.19
Pvap 1.33 kPa 387.92 Calculated Property
Pvap 2.90 kPa 403.73 Calculated Property
Pvap 5.86 kPa 419.54 Calculated Property
Pvap 11.13 kPa 435.34 Calculated Property
Pvap 20.02 kPa 451.15 Calculated Property
Pvap 34.30 kPa 466.96 Calculated Property
Pvap 56.36 kPa 482.77 Calculated Property
Pvap 89.17 kPa 498.57 Calculated Property
Pvap 136.45 kPa 514.38 Calculated Property
Pvap 202.65 kPa 530.19 Calculated Property
Pvap [8.47e-04; 4890.03] kPa [293.05; 667.00] KDB Vap... Show Hide
Equationln(Pvp) = A + B/T + C*ln(T) + D*T^2
Coefficient A5.07189e+01
Coefficient B-9.72020e+03
Coefficient C-4.35830e+00
Coefficient D1.55136e-06
Temperature range, min.293.05
Temperature range, max.667.00
Pvap 8.47e-04 kPa 293.05 Calculated Property
Pvap 0.03 kPa 334.60 Calculated Property
Pvap 0.47 kPa 376.15 Calculated Property
Pvap 4.13 kPa 417.70 Calculated Property
Pvap 23.71 kPa 459.25 Calculated Property
Pvap 100.14 kPa 500.80 Calculated Property
Pvap 334.75 kPa 542.35 Calculated Property
Pvap 934.11 kPa 583.90 Calculated Property
Pvap 2261.64 kPa 625.45 Calculated Property
Pvap 4890.03 kPa 667.00 Calculated Property

Similar Compounds

1-Butanol. 1,5-Pentanediol. 1-Pentanol. 1-Butanol, 4-methoxy-. 1,6-Hexanediol. 1,7-Heptanediol. 1,10-Decanediol. 1,11-Undecanediol. 1,12-Dodecanediol. 1,9-Nonanediol. 1,15-Pentadecanediol. 1,22-Docosanediol. 1,8-Octanediol. 1,16-Hexadecanediol. 1,14-Tetradecanediol.

Find more compounds similar to 1,4-Butanediol.

Mixtures

Find more mixtures with 1,4-Butanediol.

Sources

Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more. Take the time to validate and double check the source of the data.
Outlier This icon means that the value is more than 2 standard deviations away from the property mean.