Chemical Properties of 3-Phenylpropanol (CAS 122-97-4)

InChI

InChI=1S/C9H12O/c10-8-4-7-9-5-2-1-3-6-9/h1-3,5-6,10H,4,7-8H2

InChI Key

VAJVDSVGBWFCLW-UHFFFAOYSA-N

Formula

C9H12O

SMILES

OCCCc1ccccc1

Molecular Weight¹

136.19

CAS

122-97-4

Other Names

• (3-Hydroxypropyl)benzene
• 1-Hydroxy-3-phenylpropane
• 1-Propanol, 3-phenyl-
• 3- Phenylprophyl alcohol
• 3-Benzenepropanol
• 3-Phenyl-1-propanol
• 3-Phenyl-n-propanol
• 3-Phenylpropan-1-ol
• 3-Phenylpropyl alcohol
• 3-phenyl-n-propyl alcohol
• Benzenepropanol
• Dihydrocinnamyl alcohol
• Hydrocinnamic alcohol
• Hydrocinnamyl alcohol
• NSC 16942
• Phenylpropyl alcohol
• Phenylpropylic alcohol
• propanol, 3-phenyl-
• «gamma»-Phenylpropanol
• «gamma»-Phenylpropyl alcohol
• «gamma»-Phenylpropanol
• «gamma»-Phenylpropyl alcohol

• ω : Acentric Factor.
• C_p,gas : Ideal gas heat capacity (J/mol×K).
• C_p,liquid : Liquid phase 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).
• n₀ : Refractive Index.
• ρ_l : Liquid Density (kg/m³).
• I_np : Non-polar retention indices.
• I : 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	0.6492		Relay (1.0) Calculated Property
ΔfG°	0.49	kJ/mol	Joback Calculated Property
ΔfH°gas	-141.35	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	17.20	kJ/mol	Joback Calculated Property
ΔvapH°	77.74	kJ/mol	Relay (1.0) Calculated Property
IE	8.90	eV	Relay (1.0) Calculated Property
log10WS	-1.38		Aq. Solubility Prediction
logPoct/wat	1.611		Crippen Calculated Property
McVol	119.780	ml/mol	McGowan Calculated Property
Pc	3460.00	kPa	Vapor-Liquid Critical Properties of Phenol and (C8 to C10) Phenylalkanols
Inp	[1197.00; 1261.00]
Inp	1203.00		NIST
Inp	1203.00		NIST
Inp	1207.00		NIST
Inp	1231.00		NIST
Inp	Outlier 1261.00		NIST
Inp	1205.00		NIST
Inp	1233.00		NIST
Inp	1200.00		NIST
Inp	1235.20		NIST
Inp	1228.00		NIST
Inp	1232.00		NIST
Inp	1221.00		NIST
Inp	1219.00		NIST
Inp	1243.00		NIST
Inp	1243.00		NIST
Inp	1197.00		NIST
Inp	1232.00		NIST
Inp	1200.00		NIST
Inp	1237.00		NIST
Inp	1234.00		NIST
Inp	1202.00		NIST
Inp	1238.00		NIST
Inp	1200.00		NIST
Inp	1232.00		NIST
Inp	1236.00		NIST
Inp	1225.00		NIST
Inp	1218.00		NIST
Inp	1252.00		NIST
Inp	1253.00		NIST
Inp	1213.00		NIST
Inp	1201.00		NIST
Inp	1202.00		NIST
Inp	1202.00		NIST
Inp	1232.00		NIST
Inp	1253.00		NIST
Inp	1235.20		NIST
Inp	1231.00		NIST
I	[1989.00; 2061.00]
I	1989.00		NIST
I	2058.00		NIST
I	2048.00		NIST
I	2061.00		NIST
I	2058.00		NIST
I	2036.00		NIST
I	2016.00		NIST
I	2037.00		NIST
I	2022.00		NIST
I	2007.00		NIST
I	2032.00		NIST
I	2032.00		NIST
I	1993.00		NIST
I	2045.00		NIST
I	2047.00		NIST
I	2045.00		NIST
I	2049.00		NIST
I	2049.00		NIST
I	1993.00		NIST
I	2039.00		NIST
I	2040.00		NIST
I	2059.00		NIST
I	2037.00		NIST
I	1993.00		NIST
I	1989.00		NIST
Tboil	[486.00; 515.15]	K
Tboil	508.20	K	NIST
Tboil	515.15 ± 0.40	K	NIST
Tboil	486.00 ± 2.00	K	NIST
Tc	746.48	K	Relay (1.0) Calculated Property
Tfus	257.39	K	Relay (1.0) Calculated Property
Vc	0.425	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[266.71; 327.43]	J/mol×K	[524.18; 719.09]
Cp,gas	266.71	J/mol×K	524.18	Joback Calculated Property
Cp,gas	278.37	J/mol×K	556.66	Joback Calculated Property
Cp,gas	289.37	J/mol×K	589.15	Joback Calculated Property
Cp,gas	299.75	J/mol×K	621.63	Joback Calculated Property
Cp,gas	309.54	J/mol×K	654.12	Joback Calculated Property
Cp,gas	318.76	J/mol×K	686.60	Joback Calculated Property
Cp,gas	327.43	J/mol×K	719.09	Joback Calculated Property
Cp,liquid	280.74	J/mol×K	298.15	NIST
η	[0.0001251; 0.0168187]	Pa×s	[278.43; 524.18]
η	0.0168187	Pa×s	278.43	Joback Calculated Property
η	0.0044008	Pa×s	319.39	Joback Calculated Property
η	0.0015618	Pa×s	360.35	Joback Calculated Property
η	0.0006848	Pa×s	401.30	Joback Calculated Property
η	0.0003498	Pa×s	442.26	Joback Calculated Property
η	0.0002002	Pa×s	483.22	Joback Calculated Property
η	0.0001251	Pa×s	524.18	Joback Calculated Property
ΔvapH	[62.60; 62.80]	kJ/mol	[306.00; 427.50]
ΔvapH	62.80	kJ/mol	306.00	NIST
ΔvapH	62.60	kJ/mol	427.50	NIST
n0	[1.52100; 1.52590]		[298.15; 308.15]
n0	1.52590		298.15	Enthalpies of Mixing, Densities, and Refractive Indices for Binary Mixtures of (Anisole or Phenetole) + Three Aryl Alcohols at 308.15 K and at Atmospheric Pressure
n0	1.52140		308.15	Enthalpies of Mixing, Densities, and Refractive Indices for Binary Mixtures of (Anisole or Phenetole) + Three Aryl Alcohols at 308.15 K and at Atmospheric Pressure
n0	1.52100		308.15	Excess Enthalpies, Heat Capacities, Densities, Viscosities and Refractive Indices of Dimethyl Sulfoxide + Three Aryl Alcohols at 308.15 K and Atmospheric Pressure
ρl	990.81	kg/m3	308.15	Excess Properties of Binary Mixtures of Esters of Carbonic Acid + Three Aryl Alcohols at 308.15 K

Pressure Dependent Properties

Similar Compounds

Find more compounds similar to 3-Phenylpropanol.

Mixtures

• 3-Phenylpropanol + Carbonic acid, dimethyl ester
• Diethyl carbonate + 3-Phenylpropanol
• 3-Phenylpropanol + Propylene Carbonate
• 3-Phenylpropanol + Anisole
• 3-Phenylpropanol + Benzene, ethoxy-
• 3-Phenylpropanol + Dimethyl Sulfoxide
• 3-Phenylpropanol + Water
• 3-Phenylpropanol + Water + Tetradonium Bromide

Sources

• Cheméo Relay (1.0)
• Crippen Method
• Excess Properties of Binary Mixtures of Esters of Carbonic Acid + Three Aryl Alcohols at 308.15 K
• Enthalpies of Mixing, Densities, and Refractive Indices for Binary Mixtures of (Anisole or Phenetole) + Three Aryl Alcohols at 308.15 K and at Atmospheric Pressure
• Excess Enthalpies, Heat Capacities, Densities, Viscosities and Refractive Indices of Dimethyl Sulfoxide + Three Aryl Alcohols at 308.15 K and Atmospheric Pressure
• Vapor-Liquid Critical Properties of Phenol and (C8 to C10) Phenylalkanols
• Partitioning of Phenylalkanols between Micelles and Water Studied by Limiting Interdiffusion Coefficients in Water and Tetradecyltrimethylammonium Bromide Solutions
• Joback Method
• Aqueous Solubility Prediction Method
• McGowan Method
• NIST Webbook

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