Chemical Properties of p-Isopropenylphenol

InChI

InChI=1S/C9H10O/c1-7(2)8-3-5-9(10)6-4-8/h3-6,10H,1H2,2H3

InChI Key

JAGRUUPXPPLSRX-UHFFFAOYSA-N

Formula

C9H10O

SMILES

C=C(C)c1ccc(O)cc1

Molecular Weight¹

134.18

Other Names

• P-isopropenyl phenol
• Phenol, 4-(1-methylethenyl)

• ω : Acentric Factor.
• C_p,gas : Ideal gas heat capacity (J/mol×K).
• C_p,liquid : Liquid phase heat capacity (J/mol×K).
• μ : Dipole Moment (debye).
• 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_triple : Triple Point Pressure (kPa).
• P_vap : Vapor pressure (kPa).
• ρ_l : Liquid Density (kg/m³).
• I_np : Non-polar retention indices.
• γ : Surface Tension (N/m).
• T_boil : Normal Boiling Point Temperature (K).
• T_c : Critical Temperature (K).
• λ_gas : Gas thermal conductivity (W/m×K).
• λ_liquid : Liquid thermal conductivity (W/m×K).
• T_fus : Normal melting (fusion) point (K).
• T_triple : Triple Point Temperature (K).
• U_Qi : UNIQUAC Qi Parameter.
• U_Ri : UNIQUAC Ri Parameter.
• V_c : Critical Volume (m³/kmol).
• Z_c : Critical Compressibility.
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ω	0.5236		ChemSep v8.3 pure component data Compiled value
μ	1.24	debye	ChemSep v8.3 pure component data Compiled value
ΔfG°	51.73	kJ/mol	ChemSep v8.3 pure component data Compiled value
ΔfH°gas	-65.89	kJ/mol	ChemSep v8.3 pure component data Compiled value
ΔfusH°	16.30	kJ/mol	Joback Calculated Property
ΔvapH°	70.01	kJ/mol	Relay (1.0) Calculated Property
IE	7.94	eV	Relay (1.0) Calculated Property
log10WS	-1.88		Relay (1.0) Calculated Property
logPoct/wat	2.425		Crippen Calculated Property
McVol	115.480	ml/mol	McGowan Calculated Property
Pc	3936.00	kPa	ChemSep v8.3 pure component data Compiled value
Ptriple	0.20	kPa	ChemSep v8.3 pure component data Compiled value
Inp	[1296.00; 1296.00]
Inp	1296.00		NIST
Inp	1296.00		NIST
Tboil	513.70	K	ChemSep v8.3 pure component data Compiled value
Tc	742.70	K	ChemSep v8.3 pure component data Compiled value
Tfus	357.15	K	ChemSep v8.3 pure component data Compiled value
Ttriple	356.65	K	ChemSep v8.3 pure component data Compiled value
UQi	4.24		ChemSep v8.3 pure component data Compiled value
URi	5.40		ChemSep v8.3 pure component data Compiled value
Vc	0.369	m3/kmol	ChemSep v8.3 pure component data Compiled value
Zc	0.2350000		ChemSep v8.3 pure component data Compiled value

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[168.36; 403.88]	J/mol×K	[298.15; 1500.00]	ChemSep v8.3 pure component data Compiled value
Equation			Y = A + B·((C/T)/sinh(C/T))² + D·((E/T)/cosh(E/T))² Y is Cp,gas in J/mol×K, T in K
Coefficient A			1.25750e+02
Coefficient B			3.36570e+02
Coefficient C			1.68200e+03
Coefficient D			2.66060e+02
Coefficient E			7.57940e+02
Temperature range, min.			298.15
Temperature range, max.			1500.00
Cp,gas	168.36	J/mol×K	298.15	Calculated Property
Cp,gas	226.53	J/mol×K	431.69	Calculated Property
Cp,gas	271.65	J/mol×K	565.23	Calculated Property
Cp,gas	305.30	J/mol×K	698.77	Calculated Property
Cp,gas	331.62	J/mol×K	832.31	Calculated Property
Cp,gas	352.70	J/mol×K	965.84	Calculated Property
Cp,gas	369.72	J/mol×K	1099.38	Calculated Property
Cp,gas	383.50	J/mol×K	1232.92	Calculated Property
Cp,gas	394.71	J/mol×K	1366.46	Calculated Property
Cp,gas	403.88	J/mol×K	1500.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
Cp,liquid	[264.11; 328.96]	J/mol×K	[356.65; 513.70]	ChemSep v8.3 pure component data Compiled value
Equation			Y = A + B·T + C·T² + D·T³ + E·T⁴ Y is Cp,liquid in J/mol×K, T in K
Coefficient A			-9.05510e+00
Coefficient B			1.01100e+00
Coefficient C			-6.87160e-04
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Temperature range, min.			356.65
Temperature range, max.			513.70
Cp,liquid	264.11	J/mol×K	356.65	Calculated Property
Cp,liquid	272.99	J/mol×K	374.10	Calculated Property
Cp,liquid	281.45	J/mol×K	391.55	Calculated Property
Cp,liquid	289.50	J/mol×K	409.00	Calculated Property
Cp,liquid	297.12	J/mol×K	426.45	Calculated Property
Cp,liquid	304.32	J/mol×K	443.90	Calculated Property
Cp,liquid	311.11	J/mol×K	461.35	Calculated Property
Cp,liquid	317.48	J/mol×K	478.80	Calculated Property
Cp,liquid	323.43	J/mol×K	496.25	Calculated Property
Cp,liquid	328.96	J/mol×K	513.70	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0034313; 0.0005654]	Pa×s	[356.65; 513.70]	ChemSep v8.3 pure component data Compiled value
Equation			Y = exp(A + B/T + C·ln(T) + D·T^E) Y is η in Pa×s, T in K
Coefficient A			-8.94590e+01
Coefficient B			6.79270e+03
Coefficient C			1.10160e+01
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Temperature range, min.			356.65
Temperature range, max.			513.70
η	0.0034313	Pa×s	356.65	Calculated Property
η	0.0023887	Pa×s	374.10	Calculated Property
η	0.0017573	Pa×s	391.55	Calculated Property
η	0.0013551	Pa×s	409.00	Calculated Property
η	0.0010882	Pa×s	426.45	Calculated Property
η	0.0009050	Pa×s	443.90	Calculated Property
η	0.0007758	Pa×s	461.35	Calculated Property
η	0.0006829	Pa×s	478.80	Calculated Property
η	0.0006151	Pa×s	496.25	Calculated Property
η	0.0005654	Pa×s	513.70	Calculated Property

Property	Value	Unit	Temperature (K)	Source
ΔvapH	[65.40; 0.00]	kJ/mol	[356.65; 742.70]	ChemSep v8.3 pure component data Compiled value
Equation			Y = A·(1 − Tr)^(B + C·Tr + D·Tr² + E·Tr³), Tr = T/Tc Y is ΔvapH in kJ/mol, T in K
Coefficient A			8.04450e+01
Coefficient B			1.10550e-01
Coefficient C			5.75800e-01
Coefficient D			-3.06110e-01
Coefficient E			0.00000e+00
Critical temperature, Tc (K)			7.42700e+02
Temperature range, min.			356.65
Temperature range, max.			742.70
ΔvapH	65.40	kJ/mol	356.65	Calculated Property
ΔvapH	62.27	kJ/mol	399.54	Calculated Property
ΔvapH	58.86	kJ/mol	442.44	Calculated Property
ΔvapH	55.16	kJ/mol	485.33	Calculated Property
ΔvapH	51.11	kJ/mol	528.23	Calculated Property
ΔvapH	46.62	kJ/mol	571.12	Calculated Property
ΔvapH	41.52	kJ/mol	614.02	Calculated Property
ΔvapH	35.40	kJ/mol	656.91	Calculated Property
ΔvapH	27.12	kJ/mol	699.81	Calculated Property
ΔvapH	0.00	kJ/mol	742.70	Calculated Property

Property	Value	Unit	Temperature (K)	Source
Pvap	[0.20; 3933.88]	kPa	[356.65; 742.70]	ChemSep v8.3 pure component data Compiled value
Equation			Y = exp(A + B/T + C·ln(T) + D·T^E) Y is Pvap in kPa, T in K
Coefficient A			8.41932e+01
Coefficient B			-1.11720e+04
Coefficient C			-9.27210e+00
Coefficient D			2.48960e-18
Coefficient E			6.00000e+00
Temperature range, min.			356.65
Temperature range, max.			742.70
Pvap	0.20	kPa	356.65	Calculated Property
Pvap	2.01	kPa	399.54	Calculated Property
Pvap	11.85	kPa	442.44	Calculated Property
Pvap	47.47	kPa	485.33	Calculated Property
Pvap	143.41	kPa	528.23	Calculated Property
Pvap	351.62	kPa	571.12	Calculated Property
Pvap	738.51	kPa	614.02	Calculated Property
Pvap	1384.70	kPa	656.91	Calculated Property
Pvap	2395.93	kPa	699.81	Calculated Property
Pvap	3933.88	kPa	742.70	Calculated Property

Property	Value	Unit	Temperature (K)	Source
ρl	[1206.68; 363.40]	kg/m3	[356.65; 742.70]	ChemSep v8.3 pure component data Compiled value
Equation			Y = A / B^(1 + (1 − T/C)^D) Y is ρl in kg/m3, T in K
Coefficient A			8.55164e+01
Coefficient B			2.35320e-01
Coefficient C			7.42700e+02
Coefficient D			2.85710e-01
Temperature range, min.			356.65
Temperature range, max.			742.70
ρl	1206.68	kg/m3	356.65	Calculated Property
ρl	1159.70	kg/m3	399.54	Calculated Property
ρl	1110.40	kg/m3	442.44	Calculated Property
ρl	1058.23	kg/m3	485.33	Calculated Property
ρl	1002.35	kg/m3	528.23	Calculated Property
ρl	941.46	kg/m3	571.12	Calculated Property
ρl	873.34	kg/m3	614.02	Calculated Property
ρl	793.47	kg/m3	656.91	Calculated Property
ρl	689.60	kg/m3	699.81	Calculated Property
ρl	363.40	kg/m3	742.70	Calculated Property

Property	Value	Unit	Temperature (K)	Source
γ	[0.08; 0.00]	N/m	[356.65; 742.70]	ChemSep v8.3 pure component data Compiled value
Equation			Y = A·(1 − Tr)^(B + C·Tr + D·Tr² + E·Tr³), Tr = T/Tc Y is γ in N/m, T in K
Coefficient A			1.83310e-01
Coefficient B			1.27440e+00
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Critical temperature, Tc (K)			7.42700e+02
Temperature range, min.			356.65
Temperature range, max.			742.70
γ	0.08	N/m	356.65	Calculated Property
γ	0.07	N/m	399.54	Calculated Property
γ	0.06	N/m	442.44	Calculated Property
γ	0.05	N/m	485.33	Calculated Property
γ	0.04	N/m	528.23	Calculated Property
γ	0.03	N/m	571.12	Calculated Property
γ	0.02	N/m	614.02	Calculated Property
γ	0.01	N/m	656.91	Calculated Property
γ	0.00	N/m	699.81	Calculated Property
γ	0.00	N/m	742.70	Calculated Property

Property	Value	Unit	Temperature (K)	Source
λgas	[0.02; 0.05]	W/m×K	[513.70; 1000.00]	ChemSep v8.3 pure component data Compiled value
Equation			Y = A·T^B / (1 + C/T + D/T²) Y is λgas in W/m×K, T in K
Coefficient A			1.85680e-04
Coefficient B			9.01550e-01
Coefficient C			7.39970e+02
Coefficient D			0.00000e+00
Temperature range, min.			513.70
Temperature range, max.			1000.00
λgas	0.02	W/m×K	513.70	Calculated Property
λgas	0.02	W/m×K	567.73	Calculated Property
λgas	0.03	W/m×K	621.77	Calculated Property
λgas	0.03	W/m×K	675.80	Calculated Property
λgas	0.04	W/m×K	729.83	Calculated Property
λgas	0.04	W/m×K	783.87	Calculated Property
λgas	0.04	W/m×K	837.90	Calculated Property
λgas	0.05	W/m×K	891.93	Calculated Property
λgas	0.05	W/m×K	945.97	Calculated Property
λgas	0.05	W/m×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
λliquid	[0.15; 0.13]	W/m×K	[356.65; 513.70]	ChemSep v8.3 pure component data Compiled value
Equation			Y = A + B·T + C·T² + D·T³ + E·T⁴ Y is λliquid in W/m×K, T in K
Coefficient A			2.10540e-01
Coefficient B			-2.11370e-04
Coefficient C			1.01320e-07
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Temperature range, min.			356.65
Temperature range, max.			513.70
λliquid	0.15	W/m×K	356.65	Calculated Property
λliquid	0.15	W/m×K	374.10	Calculated Property
λliquid	0.14	W/m×K	391.55	Calculated Property
λliquid	0.14	W/m×K	409.00	Calculated Property
λliquid	0.14	W/m×K	426.45	Calculated Property
λliquid	0.14	W/m×K	443.90	Calculated Property
λliquid	0.13	W/m×K	461.35	Calculated Property
λliquid	0.13	W/m×K	478.80	Calculated Property
λliquid	0.13	W/m×K	496.25	Calculated Property
λliquid	0.13	W/m×K	513.70	Calculated Property

Similar Compounds

Find more compounds similar to p-Isopropenylphenol.

Sources

• Cheméo Relay (1.0)
• ChemSep v8.3 pure component data Converted from ChemSep v8.3 pure component data, H. Kooijman and R. Taylor (2021, 2022), Artistic License 2.0; see how the values differ.
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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