Chemical Properties of p-Cymen-7-ol (CAS 536-60-7)

InChI

InChI=1S/C10H14O/c1-8(2)10-5-3-9(7-11)4-6-10/h3-6,8,11H,7H2,1-2H3

InChI Key

OIGWAXDAPKFNCQ-UHFFFAOYSA-N

Formula

C10H14O

SMILES

CC(C)c1ccc(CO)cc1

Molecular Weight¹

150.22

CAS

536-60-7

Other Names

• 4-(1-methylethyl)benzenemethanol
• 4-Isopropylbenzyl alcohol
• Benzenemethanol, 4-(1-methylethyl)-
• Benzyl alcohol, p-isopropyl-
• Cumic alcohol
• Cumin alcohol
• Cuminic alcohol
• Cuminol
• Cuminyl alcohol
• Cumyl alcohol
• NSC 15672
• cuminol ( p-cymen-7-ol)
• p-Cumin-7-ol
• p-Isopropylbenzyl alcohol
• p-cymene-7-ol
• para-Cymen-7-ol

• ω : Acentric Factor.
• C_p,gas : Ideal gas heat capacity (J/mol×K).
• η : Dynamic viscosity (Pa×s).
• Δ_fG° : Standard Gibbs free energy of formation (kJ/mol).
• Δ_fH°_gas : Enthalpy of formation at standard conditions (kJ/mol).
• Δ_fusH° : Enthalpy of fusion at standard conditions (kJ/mol).
• Δ_vapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
• Δ_vapH : Enthalpy of vaporization at a given temperature (kJ/mol).
• IE : Ionization energy (eV).
• log₁₀WS : Log10 of Water solubility in mol/l.
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• P_c : Critical Pressure (kPa).
• P_vap : Vapor pressure (kPa).
• I_np : Non-polar retention indices.
• I_p : Polar retention indices.
• T_boil : Normal Boiling Point Temperature (K).
• T_boilr : Boiling point at reduced pressure (K).
• T_c : Critical Temperature (K).
• T_fus : Normal melting (fusion) point (K).
• V_c : Critical Volume (m³/kmol).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ω	0.6226		Relay (1.0) Calculated Property
ΔfG°	-3.16	kJ/mol	Joback Calculated Property
ΔfH°gas	-191.72	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	15.87	kJ/mol	Joback Calculated Property
ΔvapH°	79.39	kJ/mol	Relay (1.0) Calculated Property
IE	8.49	eV	Relay (1.0) Calculated Property
log10WS	-2.42		Relay (1.0) Calculated Property
logPoct/wat	2.302		Crippen Calculated Property
McVol	133.870	ml/mol	McGowan Calculated Property
Pc	3220.98	kPa	Joback Calculated Property
Inp	[1252.00; 1308.00]
Inp	1302.00		NIST
Inp	1289.00		NIST
Inp	1291.00		NIST
Inp	1275.00		NIST
Inp	1265.00		NIST
Inp	1287.00		NIST
Inp	Outlier 1308.00		NIST
Inp	1287.00		NIST
Inp	1289.00		NIST
Inp	1275.00		NIST
Inp	1290.00		NIST
Inp	1271.00		NIST
Inp	1287.00		NIST
Inp	1266.00		NIST
Inp	1260.00		NIST
Inp	1288.00		NIST
Inp	1295.00		NIST
Inp	1291.00		NIST
Inp	1287.00		NIST
Inp	1287.00		NIST
Inp	1288.00		NIST
Inp	1278.00		NIST
Inp	1279.00		NIST
Inp	1270.00		NIST
Inp	1278.00		NIST
Inp	1283.00		NIST
Inp	1287.00		NIST
Inp	1294.00		NIST
Inp	1295.00		NIST
Inp	1265.00		NIST
Inp	1289.00		NIST
Inp	1298.00		NIST
Inp	1291.00		NIST
Inp	1295.00		NIST
Inp	1293.00		NIST
Inp	1296.00		NIST
Inp	1288.00		NIST
Inp	1295.00		NIST
Inp	1284.00		NIST
Inp	1267.00		NIST
Inp	1292.00		NIST
Inp	1287.00		NIST
Inp	1290.00		NIST
Inp	1267.00		NIST
Inp	1290.00		NIST
Inp	1283.00		NIST
Inp	1286.00		NIST
Inp	1287.00		NIST
Inp	1270.00		NIST
Inp	1286.00		NIST
Inp	1284.00		NIST
Inp	1284.00		NIST
Inp	Outlier 1252.00		NIST
Inp	1305.00		NIST
Inp	1273.00		NIST
Inp	1287.00		NIST
Inp	1268.00		NIST
Inp	1267.00		NIST
Inp	1260.00		NIST
Inp	1265.00		NIST
Inp	1295.00		NIST
Inp	1306.00		NIST
Inp	1288.00		NIST
Inp	1289.00		NIST
Inp	1289.00		NIST
Inp	1265.00		NIST
Inp	1291.00		NIST
Inp	1293.00		NIST
Inp	1260.00		NIST
Inp	1291.00		NIST
Inp	1276.00		NIST
Inp	1291.00		NIST
Inp	1279.00		NIST
Inp	1283.00		NIST
Inp	1276.00		NIST
Inp	1287.00		NIST
Inp	1287.00		NIST
Inp	1265.00		NIST
Inp	1263.00		NIST
Inp	1274.00		NIST
Inp	1260.00		NIST
Inp	1279.00		NIST
Inp	1270.00		NIST
Inp	1302.00		NIST
Inp	1283.00		NIST
Inp	1295.00		NIST
Inp	1284.00		NIST
Inp	1267.00		NIST
Inp	1270.00		NIST
Inp	1305.00		NIST
Inp	1260.00		NIST
Ip	[2076.00; 2115.00]
Ip	2113.00		NIST
Ip	2086.00		NIST
Ip	2090.00		NIST
Ip	Outlier 2078.00		NIST
Ip	Outlier 2078.00		NIST
Ip	2106.00		NIST
Ip	2095.00		NIST
Ip	2114.00		NIST
Ip	2114.00		NIST
Ip	Outlier 2076.00		NIST
Ip	2098.00		NIST
Ip	2101.00		NIST
Ip	2097.00		NIST
Ip	2088.00		NIST
Ip	2113.00		NIST
Ip	2113.00		NIST
Ip	2113.00		NIST
Ip	2113.00		NIST
Ip	2108.00		NIST
Ip	2115.00		NIST
Ip	2113.00		NIST
Ip	2113.00		NIST
Ip	2113.00		NIST
Ip	2113.00		NIST
Ip	2113.00		NIST
Ip	2113.00		NIST
Ip	2113.00		NIST
Ip	2113.00		NIST
Ip	2113.00		NIST
Ip	2113.00		NIST
Ip	2113.00		NIST
Ip	2113.00		NIST
Ip	2113.00		NIST
Ip	2113.00		NIST
Ip	2113.00		NIST
Ip	2113.00		NIST
Ip	2113.00		NIST
Ip	2113.00		NIST
Ip	2113.00		NIST
Ip	2113.00		NIST
Ip	2113.00		NIST
Ip	2110.00		NIST
Ip	2104.00		NIST
Ip	2099.00		NIST
Ip	2086.00		NIST
Ip	2113.00		NIST
Tboil	[505.15; 521.80]	K
Tboil	521.80 ± 1.00	K	NIST
Tboil	505.15 ± 1.50	K	NIST
Tc	740.05	K	Relay (1.0) Calculated Property
Tfus	300.65	K	Jean-Claude Bradley Open Melting Point Dataset (2014, CC0) Compiled value
Vc	0.475	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Pressure Dependent Properties

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[175.10; 432.88]	J/mol×K	[273.00; 1000.00]	Joback Predicted correlation
Equation			Y = A + B·T + C·T² + D·T³ + E·T⁴ Y is Cp,gas in J/mol×K, T in K
Coefficient A			-2.21990e+01
Coefficient B			8.55340e-01
Coefficient C			-5.17960e-04
Coefficient D			1.17700e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	175.10	J/mol×K	273.00	Calculated Property
Cp,gas	220.79	J/mol×K	353.78	Calculated Property
Cp,gas	261.34	J/mol×K	434.56	Calculated Property
Cp,gas	297.14	J/mol×K	515.33	Calculated Property
Cp,gas	328.55	J/mol×K	596.11	Calculated Property
Cp,gas	355.96	J/mol×K	676.89	Calculated Property
Cp,gas	379.72	J/mol×K	757.67	Calculated Property
Cp,gas	400.21	J/mol×K	838.44	Calculated Property
Cp,gas	417.81	J/mol×K	919.22	Calculated Property
Cp,gas	432.88	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0088228; 0.0001263]	Pa×s	[300.65; 524.50]	Joback Predicted correlation
Equation			Y = exp(A + B/T + C·ln(T) + D·T^E) Y is η in Pa×s, T in K
Coefficient A			-1.46809e+01
Coefficient B			2.99161e+03
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Comment			Liquid phase. Joback/Reid (1987), valid from Tf to 0.7·Tc.
Temperature range, min.			300.65
Temperature range, max.			524.50
η	0.0088228	Pa×s	300.65	Calculated Property
η	0.0041249	Pa×s	325.52	Calculated Property
η	0.0021483	Pa×s	350.39	Calculated Property
η	0.0012200	Pa×s	375.27	Calculated Property
η	0.0007433	Pa×s	400.14	Calculated Property
η	0.0004799	Pa×s	425.01	Calculated Property
η	0.0003252	Pa×s	449.88	Calculated Property
η	0.0002295	Pa×s	474.76	Calculated Property
η	0.0001677	Pa×s	499.63	Calculated Property
η	0.0001263	Pa×s	524.50	Calculated Property

Property	Value	Unit	Temperature (K)	Source
Pvap	[0.13; 101.55]	kPa	[347.30; 519.80]	NIST
Equation			ln(Y) = A + B/(T + C) Y is Pvap in kPa, T in K
Coefficient A			1.62889e+01
Coefficient B			-5.54708e+03
Coefficient C			-4.44060e+01
Reference			Stull, 1947
Comment			Coefficents calculated by NIST from author's data.
Temperature range, min.			347.30
Temperature range, max.			519.80
Pvap	0.13	kPa	347.30	Calculated Property
Pvap	0.39	kPa	366.47	Calculated Property
Pvap	1.03	kPa	385.63	Calculated Property
Pvap	2.45	kPa	404.80	Calculated Property
Pvap	5.34	kPa	423.97	Calculated Property
Pvap	10.77	kPa	443.13	Calculated Property
Pvap	20.39	kPa	462.30	Calculated Property
Pvap	36.49	kPa	481.47	Calculated Property
Pvap	62.20	kPa	500.63	Calculated Property
Pvap	101.55	kPa	519.80	Calculated Property

Similar Compounds

Find more compounds similar to p-Cymen-7-ol.

Sources

• Jean-Claude Bradley Open Melting Point Dataset (2014, CC0) ChEDL chemicals 1.5.2, from Bradley, J.-C.; Williams, A.; Lang, A. Jean-Claude Bradley Open Melting Point Dataset. Figshare, 2014 (CC0).
• Cheméo Relay (1.0)
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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