Chemical Properties of Benzaldehyde, 4-(1-methylethyl)- (CAS 122-03-2)

Benzaldehyde, 4-(1-methylethyl)-

InChI
InChI=1S/C10H12O/c1-8(2)10-5-3-9(7-11)4-6-10/h3-8H,1-2H3
InChI Key
WTWBUQJHJGUZCY-UHFFFAOYSA-N
Formula
C10H12O
SMILES
CC(C)c1ccc(C=O)cc1
Molecular Weight1
148.20
CAS
122-03-2
Other Names
  • 4-(1-Methylethyl)benzaldehyde
  • 4-Isopropylbenzaldehyde
  • 4-Isopropylphenylcarboxaldehyde
  • 4-iPr-Benzaldehyde
  • Benzaldehyde, p-isopropyl-
  • Cumal
  • Cumaldehyde
  • Cumic aldehyde
  • Cuminal
  • Cuminaldehyde
  • Cuminic aldehyde
  • Cuminyl aldehyde
  • NSC 4886
  • p-(1-methylethyl)benzaldehyde
  • p-Cumic aldehyde
  • p-Cuminic aldehyde
  • p-Isopropylbenzaldehyde
  • p-Isopropylbenzenecarboxaldehyde
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Physical Properties

Property Value Unit Source
ω 0.4371 Relay (1.0) Calculated Property
ΔfG° 34.14 kJ/mol Joback Calculated Property
ΔfH°gas -132.09 kJ/mol Relay (1.0) Calculated Property
ΔfusH° 14.07 kJ/mol Joback Calculated Property
ΔvapH° 64.23 kJ/mol Relay (1.0) Calculated Property
IE 9.17 eV Relay (1.0) Calculated Property
log10WS -3.05 Relay (1.0) Calculated Property
logPoct/wat 2.623 Crippen Calculated Property
McVol 129.570 ml/mol McGowan Calculated Property
Pc 3156.17 kPa Joback Calculated Property
Inp [1188.00; 1284.00]   Show Hide
Inp 1218.00 NIST
Inp 1218.00 NIST
Inp 1226.00 NIST
Inp 1240.00 NIST
Inp 1242.00 NIST
Inp 1239.00 NIST
Inp 1246.00 NIST
Inp 1218.00 NIST
Inp 1249.00 NIST
Inp 1226.00 NIST
Inp 1257.00 NIST
Inp 1243.10 NIST
Inp 1202.00 NIST
Inp 1239.00 NIST
Inp 1239.00 NIST
Inp 1239.00 NIST
Inp 1237.00 NIST
Inp 1211.00 NIST
Inp Outlier 1188.00 NIST
Inp 1237.00 NIST
Inp 1235.00 NIST
Inp 1214.00 NIST
Inp 1242.00 NIST
Inp 1240.00 NIST
Inp 1216.00 NIST
Inp 1215.00 NIST
Inp 1211.00 NIST
Inp 1235.00 NIST
Inp 1232.00 NIST
Inp 1215.00 NIST
Inp 1239.00 NIST
Inp 1209.00 NIST
Inp 1205.00 NIST
Inp 1238.00 NIST
Inp 1239.00 NIST
Inp 1240.00 NIST
Inp 1240.00 NIST
Inp 1205.00 NIST
Inp 1211.00 NIST
Inp Outlier 1195.00 NIST
Inp 1246.00 NIST
Inp 1240.00 NIST
Inp 1239.00 NIST
Inp 1242.00 NIST
Inp 1239.00 NIST
Inp Outlier 1267.00 NIST
Inp 1207.00 NIST
Inp 1239.00 NIST
Inp 1248.00 NIST
Inp 1236.00 NIST
Inp 1239.00 NIST
Inp 1239.00 NIST
Inp 1211.00 NIST
Inp 1240.00 NIST
Inp 1202.00 NIST
Inp 1215.00 NIST
Inp 1241.00 NIST
Inp 1246.50 NIST
Inp 1236.00 NIST
Inp Outlier 1265.00 NIST
Inp 1242.00 NIST
Inp 1242.00 NIST
Inp 1244.00 NIST
Inp 1240.00 NIST
Inp 1237.00 NIST
Inp 1236.00 NIST
Inp 1217.00 NIST
Inp 1246.00 NIST
Inp 1248.00 NIST
Inp 1251.00 NIST
Inp 1255.00 NIST
Inp 1201.00 NIST
Inp 1226.00 NIST
Inp 1239.00 NIST
Inp 1242.00 NIST
Inp 1234.00 NIST
Inp 1245.00 NIST
Inp 1240.00 NIST
Inp 1240.00 NIST
Inp 1218.00 NIST
Inp 1212.00 NIST
Inp 1239.00 NIST
Inp 1238.00 NIST
Inp 1256.00 NIST
Inp 1235.00 NIST
Inp 1239.00 NIST
Inp 1250.00 NIST
Inp 1213.00 NIST
Inp 1240.00 NIST
Inp 1239.00 NIST
Inp 1221.00 NIST
Inp 1237.00 NIST
Inp 1224.00 NIST
Inp 1236.00 NIST
Inp 1224.00 NIST
Inp 1247.00 NIST
Inp 1240.00 NIST
Inp 1202.00 NIST
Inp 1240.00 NIST
Inp 1220.00 NIST
Inp 1234.00 NIST
Inp 1222.00 NIST
Inp 1237.00 NIST
Inp 1217.00 NIST
Inp 1228.00 NIST
Inp 1236.00 NIST
Inp 1214.00 NIST
Inp 1249.00 NIST
Inp 1236.00 NIST
Inp 1224.00 NIST
Inp Outlier 1284.00 NIST
Inp 1252.00 NIST
Inp 1238.00 NIST
Inp 1221.00 NIST
Inp 1239.00 NIST
Inp 1221.00 NIST
Inp 1239.00 NIST
Inp Outlier 1192.00 NIST
Inp 1240.00 NIST
Inp 1241.00 NIST
Inp 1239.00 NIST
Inp 1224.00 NIST
Inp 1224.00 NIST
Inp 1255.00 NIST
Inp 1240.00 NIST
Inp 1234.00 NIST
Inp 1239.00 NIST
Inp 1223.00 NIST
Inp 1216.00 NIST
Inp 1239.00 NIST
Inp 1241.00 NIST
Inp 1203.00 NIST
Inp 1240.00 NIST
Inp 1235.60 NIST
Inp 1239.00 NIST
Inp 1227.00 NIST
Inp 1208.00 NIST
Inp 1216.00 NIST
Inp 1219.00 NIST
Inp 1218.00 NIST
Inp 1219.00 NIST
Inp Outlier 1191.00 NIST
Inp 1203.00 NIST
Inp 1238.00 NIST
Inp 1200.00 NIST
Inp 1237.00 NIST
Inp 1238.00 NIST
Inp 1239.00 NIST
Inp 1243.00 NIST
Inp 1238.00 NIST
Inp 1247.00 NIST
Inp 1238.00 NIST
Inp Outlier 1279.00 NIST
Inp 1228.00 NIST
Inp 1232.00 NIST
Inp 1200.00 NIST
Inp 1242.00 NIST
Inp 1215.00 NIST
Inp 1258.00 NIST
Inp 1238.00 NIST
Inp 1216.00 NIST
Inp 1242.00 NIST
Inp 1246.00 NIST
Inp 1242.00 NIST
Inp 1200.00 NIST
Inp 1235.00 NIST
Inp 1226.00 NIST
Inp 1235.00 NIST
Inp Outlier 1189.00 NIST
Inp 1215.00 NIST
Inp 1200.00 NIST
Inp 1212.00 NIST
Inp 1200.00 NIST
Inp 1214.00 NIST
Inp 1226.00 NIST
Inp 1227.00 NIST
Inp 1240.00 NIST
Inp 1248.00 NIST
Inp 1239.00 NIST
Inp 1256.00 NIST
Inp 1236.00 NIST
Inp 1217.00 NIST
Inp 1221.00 NIST
Inp 1255.00 NIST
Inp 1216.00 NIST
Inp 1235.60 NIST
Inp 1219.00 NIST
Ip [1738.00; 1831.00]   Show Hide
Ip 1811.00 NIST
Ip 1795.00 NIST
Ip 1814.00 NIST
Ip 1786.00 NIST
Ip 1782.00 NIST
Ip 1779.00 NIST
Ip 1774.00 NIST
Ip 1789.00 NIST
Ip Outlier 1748.00 NIST
Ip 1794.00 NIST
Ip 1760.00 NIST
Ip 1789.00 NIST
Ip Outlier 1747.00 NIST
Ip 1785.00 NIST
Ip 1780.00 NIST
Ip 1781.00 NIST
Ip 1771.00 NIST
Ip 1759.00 NIST
Ip 1781.00 NIST
Ip 1763.00 NIST
Ip Outlier 1831.00 NIST
Ip 1775.00 NIST
Ip 1790.00 NIST
Ip 1791.00 NIST
Ip 1776.00 NIST
Ip 1753.00 NIST
Ip 1762.00 NIST
Ip 1751.00 NIST
Ip 1767.00 NIST
Ip 1794.00 NIST
Ip 1763.00 NIST
Ip 1776.00 NIST
Ip 1783.00 NIST
Ip 1784.00 NIST
Ip 1769.00 NIST
Ip 1785.00 NIST
Ip 1802.00 NIST
Ip 1776.00 NIST
Ip 1791.00 NIST
Ip 1760.00 NIST
Ip 1786.00 NIST
Ip 1804.00 NIST
Ip 1800.00 NIST
Ip 1766.00 NIST
Ip 1781.00 NIST
Ip 1798.00 NIST
Ip 1802.00 NIST
Ip 1785.00 NIST
Ip 1802.00 NIST
Ip 1802.00 NIST
Ip 1802.00 NIST
Ip 1802.00 NIST
Ip 1802.00 NIST
Ip 1802.00 NIST
Ip 1802.00 NIST
Ip 1764.00 NIST
Ip 1802.00 NIST
Ip 1802.00 NIST
Ip 1802.00 NIST
Ip 1802.00 NIST
Ip 1805.00 NIST
Ip Outlier 1738.00 NIST
Ip 1802.00 NIST
Ip 1802.00 NIST
Ip 1802.00 NIST
Ip 1804.00 NIST
Ip 1802.00 NIST
Ip 1802.00 NIST
Ip 1802.00 NIST
Ip 1802.00 NIST
Ip 1802.00 NIST
Ip 1804.00 NIST
Ip 1804.00 NIST
Ip 1805.00 NIST
Ip 1767.00 NIST
Ip 1765.00 NIST
Ip 1766.00 NIST
Ip 1763.00 NIST
Ip 1776.00 NIST
Ip 1794.00 NIST
Ip 1769.00 NIST
Ip 1760.00 NIST
Ip 1781.00 NIST
Ip 1811.00 NIST
Tboil [508.65; 508.70] K Show Hide
Tboil 508.70 K NIST
Tboil 508.65 ± 1.00 K NIST
Tc 731.18 K Relay (1.0) Calculated Property
Tfus 277.74 K Relay (1.0) Calculated Property
Vc 0.464 m3/kmol Relay (1.0) Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
ΔvapH 55.30 kJ/mol 418.00 NIST

Pressure Dependent Properties

Property Value Unit Pressure (kPa) Source
Tboilr 376.70 K 1.30 NIST

Correlations

Property Value Unit Temperature (K) Source
Cp,gas [167.51; 404.99] J/mol×K [273.00; 1000.00] Joback Predicted correlation Show Hide
EquationY = A + B·T + C·T² + D·T³ + E·T⁴
Y is Cp,gas in J/mol×K, T in K
Coefficient A-1.60900e+01
Coefficient B7.95840e-01
Coefficient C-4.80560e-04
Coefficient D1.05800e-07
Coefficient E0.00000e+00
Temperature range, min.273.00
Temperature range, max.1000.00
Cp,gas 167.51 J/mol×K 273.00 Calculated Property
Cp,gas 210.00 J/mol×K 353.78 Calculated Property
Cp,gas 247.68 J/mol×K 434.56 Calculated Property
Cp,gas 280.89 J/mol×K 515.33 Calculated Property
Cp,gas 309.96 J/mol×K 596.11 Calculated Property
Cp,gas 335.24 J/mol×K 676.89 Calculated Property
Cp,gas 357.04 J/mol×K 757.67 Calculated Property
Cp,gas 375.71 J/mol×K 838.44 Calculated Property
Cp,gas 391.58 J/mol×K 919.22 Calculated Property
Cp,gas 404.99 J/mol×K 1000.00 Calculated Property
Property Value Unit Temperature (K) Source
η [0.0033646; 0.0002584] Pa×s [268.40; 506.72] 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-1.11514e+01
Coefficient B1.46465e+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.268.40
Temperature range, max.506.72
η 0.0033646 Pa×s 268.40 Calculated Property
η 0.0020612 Pa×s 294.88 Calculated Property
η 0.0013689 Pa×s 321.36 Calculated Property
η 0.0009676 Pa×s 347.84 Calculated Property
η 0.0007183 Pa×s 374.32 Calculated Property
η 0.0005547 Pa×s 400.80 Calculated Property
η 0.0004423 Pa×s 427.28 Calculated Property
η 0.0003621 Pa×s 453.76 Calculated Property
η 0.0003031 Pa×s 480.24 Calculated Property
η 0.0002584 Pa×s 506.72 Calculated Property
Property Value Unit Temperature (K) Source
Pvap [1.33; 202.64] kPa [377.05; 539.94] The Yaws Handbook of Vapor Pressure Show Hide
Equationln(Y) = A + B/(T + C)
Y is Pvap in kPa, T in K
Coefficient A1.57194e+01
Coefficient B-5.20755e+03
Coefficient C-3.95980e+01
Temperature range, min.377.05
Temperature range, max.539.94
Pvap 1.33 kPa 377.05 Calculated Property
Pvap 2.92 kPa 395.15 Calculated Property
Pvap 5.94 kPa 413.25 Calculated Property
Pvap 11.32 kPa 431.35 Calculated Property
Pvap 20.36 kPa 449.45 Calculated Property
Pvap 34.84 kPa 467.54 Calculated Property
Pvap 57.08 kPa 485.64 Calculated Property
Pvap 90.00 kPa 503.74 Calculated Property
Pvap 137.12 kPa 521.84 Calculated Property
Pvap 202.64 kPa 539.94 Calculated Property
Pvap [0.13; 101.13] kPa [331.00; 505.00] NIST Show Hide
Equationln(Y) = A + B/(T + C)
Y is Pvap in kPa, T in K
Coefficient A1.61185e+01
Coefficient B-5.46667e+03
Coefficient C-2.97240e+01
ReferenceStull, 1947
CommentCoefficents calculated by NIST from author's data.
Temperature range, min.331.00
Temperature range, max.505.00
Pvap 0.13 kPa 331.00 Calculated Property
Pvap 0.39 kPa 350.33 Calculated Property
Pvap 1.04 kPa 369.67 Calculated Property
Pvap 2.47 kPa 389.00 Calculated Property
Pvap 5.36 kPa 408.33 Calculated Property
Pvap 10.82 kPa 427.67 Calculated Property
Pvap 20.44 kPa 447.00 Calculated Property
Pvap 36.52 kPa 466.33 Calculated Property
Pvap 62.10 kPa 485.67 Calculated Property
Pvap 101.13 kPa 505.00 Calculated Property

Similar Compounds

Ethanone, 1-[4-(1-methylethyl)phenyl]-. Benzene, 1,4-bis(1-methylethyl)-. 1-Tert-butyl-4-isopropylbenzene. Benzoic acid, 4-(1-methylethyl)-. 4-tert-butylbenzaldehyde. 3-Isopropylbenzaldehyde. 4-Isopropylbenzonitrile. p-Cymene. d14 Cymene. Benzene, 1-ethyl-4-(1-methylethyl)-. Methanone, [4-(1-methylethyl)phenyl]phenyl-. Benzene, (1-methylethyl)-. Benzoic acid, 4-(1-methylethyl)-, methyl ester. Benzene, 1-iodo-4-(1-methylethyl)-. 4-ethylbenzaldehyde.

Find more compounds similar to Benzaldehyde, 4-(1-methylethyl)-.

Sources

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