Chemical Properties of 1-Butanol, 3-methyl-, propanoate (CAS 105-68-0)

1-Butanol, 3-methyl-, propanoate

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InChI
InChI=1S/C8H16O2/c1-4-8(9)10-6-5-7(2)3/h7H,4-6H2,1-3H3
InChI Key
XAOGXQMKWQFZEM-UHFFFAOYSA-N
Formula
C8H16O2
SMILES
CCC(=O)OCCC(C)C
Molecular Weight1
144.21
CAS
105-68-0
Other Names
  • 1-Butanol, 3-methyl-, 1-propanoate
  • 3-METHYLBUTYL PROPANOATE
  • 3-Methyl-1-butyl propanoate
  • 3-Methylbutyl propionate
  • ISOAMYL PROPANOATE
  • ISOPENTYL PROPIONATE
  • Isoamyl propionate
  • Isopentyl alcohol, propionate
  • Isopentyl propanoate
  • NSC 7932
  • Propionic acid, isopentyl ester
  • iso-Amyl n-propionate
  • propanoic acid, 3-methylbutyl ester
  • propionic acid, isoamyl ester
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Physical Properties

Property Value Unit Source
Δf -219.88 kJ/mol Joback Calculated Property
Δfgas -458.53 kJ/mol Joback Calculated Property
Δfus 15.74 kJ/mol Joback Calculated Property
Δvap 42.17 kJ/mol Joback Calculated Property
log10WS -1.79 Crippen Calculated Property
logPoct/wat 1.986 Crippen Calculated Property
McVol 131.020 ml/mol McGowan Calculated Property
Pc 2679.08 kPa Joback Calculated Property
Inp [926.00; 975.00]   Show Hide
Inp 947.00 NIST
Inp 937.00 NIST
Inp 958.00 NIST
Inp 961.00 NIST
Inp 950.00 NIST
Inp 955.00 NIST
Inp 953.00 NIST
Inp Outlier 926.00 NIST
Inp 948.00 NIST
Inp 954.00 NIST
Inp 955.00 NIST
Inp 948.00 NIST
Inp 948.00 NIST
Inp 969.00 NIST
Inp 950.00 NIST
Inp 950.00 NIST
Inp 969.00 NIST
Inp 949.00 NIST
Inp 972.00 NIST
Inp 952.00 NIST
Inp 952.00 NIST
Inp 974.00 NIST
Inp 973.90 NIST
Inp 972.00 NIST
Inp 952.00 NIST
Inp 954.00 NIST
Inp 954.00 NIST
Inp 969.00 NIST
Inp 971.00 NIST
Inp 975.00 NIST
Inp 960.00 NIST
Inp 948.00 NIST
Inp 966.00 NIST
Inp 958.00 NIST
Inp 954.00 NIST
Inp 969.00 NIST
Inp 948.00 NIST
Inp 966.00 NIST
I [1176.00; 1238.00]   Show Hide
I 1206.00 NIST
I Outlier 1238.00 NIST
I 1198.00 NIST
I 1196.00 NIST
I 1186.00 NIST
I 1200.00 NIST
I 1184.00 NIST
I 1183.00 NIST
I 1192.00 NIST
I 1176.00 NIST
I 1181.00 NIST
I 1176.00 NIST
I 1188.00 NIST
I 1180.00 NIST
I 1180.00 NIST
I 1192.00 NIST
I 1183.00 NIST
I 1176.00 NIST
Tboil [431.65; 433.90] K Show Hide
Tboil 433.40 K KDB
Tboil 433.87 K Vapor-l...
Tboil 433.90 K NIST
Tboil 433.85 ± 0.25 K NIST
Tboil 433.45 ± 1.00 K NIST
Tboil 433.50 ± 0.50 K NIST
Tboil Outlier 431.65 ± 1.00 K NIST
Tc [611.00; 611.39] K Show Hide
Tc 611.00 K KDB
Tc 611.39 ± 6.00 K NIST
Tfus 237.08 K Joback Calculated Property
Vc 0.501 m3/kmol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas [279.83; 348.57] J/mol×K [458.29; 637.16] Show Hide
Cp,gas 279.83 J/mol×K 458.29 Joback Calculated Property
Cp,gas 292.41 J/mol×K 488.10 Joback Calculated Property
Cp,gas 304.54 J/mol×K 517.91 Joback Calculated Property
Cp,gas 316.22 J/mol×K 547.72 Joback Calculated Property
Cp,gas 327.44 J/mol×K 577.53 Joback Calculated Property
Cp,gas 338.23 J/mol×K 607.34 Joback Calculated Property
Cp,gas 348.57 J/mol×K 637.16 Joback Calculated Property
Cp,liquid 285.20 J/mol×K 298.15 NIST
η [0.0002420; 0.0048246] Pa×s [237.08; 458.29] Show Hide
η 0.0048246 Pa×s 237.08 Joback Calculated Property
η 0.0020946 Pa×s 273.95 Joback Calculated Property
η 0.0011084 Pa×s 310.82 Joback Calculated Property
η 0.0006713 Pa×s 347.69 Joback Calculated Property
η 0.0004476 Pa×s 384.55 Joback Calculated Property
η 0.0003204 Pa×s 421.42 Joback Calculated Property
η 0.0002420 Pa×s 458.29 Joback Calculated Property
ρl [848.98; 870.00] kg/m3 [293.00; 313.20] Show Hide
ρl 870.00 kg/m3 293.00 KDB
ρl 868.55 kg/m3 293.20 Liquid-...
ρl 848.98 kg/m3 313.20 Liquid-...

Pressure Dependent Properties

Property Value Unit Pressure (kPa) Source
Tboil [381.77; 461.35] K [20.00; 200.00] Show Hide
Tboil 381.77 K 20.00 Vapor-l...
Tboil 393.43 K 30.00 Vapor-l...
Tboil 402.13 K 40.00 Vapor-l...
Tboil 409.26 K 50.00 Vapor-l...
Tboil 415.18 K 60.00 Vapor-l...
Tboil 420.42 K 70.00 Vapor-l...
Tboil 425.06 K 80.00 Vapor-l...
Tboil 429.43 K 90.00 Vapor-l...
Tboil 437.07 K 110.00 Vapor-l...
Tboil 440.36 K 120.00 Vapor-l...
Tboil 443.47 K 130.00 Vapor-l...
Tboil 446.39 K 140.00 Vapor-l...
Tboil 449.17 K 150.00 Vapor-l...
Tboil 451.76 K 160.00 Vapor-l...
Tboil 454.42 K 170.00 Vapor-l...
Tboil 456.84 K 180.00 Vapor-l...
Tboil 459.15 K 190.00 Vapor-l...
Tboil 461.35 K 200.00 Vapor-l...

Correlations

Property Value Unit Temperature (K) Source
Pvap [1.33; 202.63] kPa [324.42; 460.49] The Yaw... Show Hide
Equationln(Pvp) = A + B/(T + C)
Coefficient A1.50161e+01
Coefficient B-3.87146e+03
Coefficient C-6.15660e+01
Temperature range, min.324.42
Temperature range, max.460.49
Pvap 1.33 kPa 324.42 Calculated Property
Pvap 2.97 kPa 339.54 Calculated Property
Pvap 6.09 kPa 354.66 Calculated Property
Pvap 11.65 kPa 369.78 Calculated Property
Pvap 20.96 kPa 384.90 Calculated Property
Pvap 35.78 kPa 400.01 Calculated Property
Pvap 58.35 kPa 415.13 Calculated Property
Pvap 91.42 kPa 430.25 Calculated Property
Pvap 138.25 kPa 445.37 Calculated Property
Pvap 202.63 kPa 460.49 Calculated Property
Pvap [0.14; 103.44] kPa [281.15; 434.15] KDB Vap... Show Hide
Equationln(Pvp) = A + B/T + C*ln(T) + D*T^2
Coefficient A2.55916e+01
Coefficient B-5.65389e+03
Coefficient C-1.33378e+00
Coefficient D9.06163e-07
Temperature range, min.281.15
Temperature range, max.434.15
Pvap 0.14 kPa 281.15 Calculated Property
Pvap 0.41 kPa 298.15 Calculated Property
Pvap 1.07 kPa 315.15 Calculated Property
Pvap 2.52 kPa 332.15 Calculated Property
Pvap 5.47 kPa 349.15 Calculated Property
Pvap 11.00 kPa 366.15 Calculated Property
Pvap 20.79 kPa 383.15 Calculated Property
Pvap 37.17 kPa 400.15 Calculated Property
Pvap 63.33 kPa 417.15 Calculated Property
Pvap 103.44 kPa 434.15 Calculated Property

Similar Compounds

Butanoic acid, 3-methylbutyl ester. Propanoic acid, 2-methyl-, 3-methylbutyl ester. Succinic acid, di(3-methylbutyl) ester. Succinic acid, butyl 3-methylbutyl ester. 1-Butanol, 3-methyl-, acetate. ethyl 3-methylbutyl succinate. Butanoic acid, 3-methyl-, 3-methylbutyl ester. 3-Chloropropanoic acid 3-methylbutyl ester. Malonic acid, butyl 3-methylbutyl ester. Propan-1,3-dioic acid, di[3-methylbutyl] ester. Propanoic acid, 3-bromo, 3-methylbutyl ester. Glutaric acid, di(3-methylbutyl) ester. Butanoic acid, 3-methyl-, butyl ester. Pentanoic acid, 3-methylbutyl ester. Glutaric acid, 3-methylbutyl propyl ester.

Find more compounds similar to 1-Butanol, 3-methyl-, propanoate.

Mixtures

Sources

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Outlier This icon means that the value is more than 2 standard deviations away from the property mean.