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-n-propanol
• 3-Phenylpropan-1-ol
• 3-Phenylpropyl alcohol
• 3-phenyl-1-propanol
• 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

• 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).
• n₀ : Refractive Index.
• ρ_l : Liquid Density (kg/m³).
• I_np : Non-polar retention indices.
• I_p : Polar retention indices.
• γ : Surface Tension (N/m).
• T_boil : Normal Boiling Point Temperature (K).
• T_boilr : Boiling point at reduced pressure (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	0.8033		ChemSep v8.3 pure component data Compiled value
μ	1.63	debye	ChemSep v8.3 pure component data Compiled value
ΔfG°	-9.48	kJ/mol	ChemSep v8.3 pure component data Compiled value
ΔfH°gas	-156.00	kJ/mol	ChemSep v8.3 pure component data Compiled value
ΔfusH°	17.20	kJ/mol	Joback Calculated Property
ΔvapH°	77.78	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	[3430.00; 3460.00]	kPa
Pc	3460.00	kPa	Vapor-Liquid Critical Properties of Phenol and (C8 to C10) Phenylalkanols
Pc	3430.00	kPa	ChemSep v8.3 pure component data Compiled value
Ptriple	3.10e-05	kPa	ChemSep v8.3 pure component data Compiled value
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	1231.00		NIST
Inp	1235.20		NIST
Ip	[1989.00; 2061.00]
Ip	1989.00		NIST
Ip	2058.00		NIST
Ip	2048.00		NIST
Ip	2061.00		NIST
Ip	2058.00		NIST
Ip	2036.00		NIST
Ip	2016.00		NIST
Ip	2037.00		NIST
Ip	2022.00		NIST
Ip	2007.00		NIST
Ip	2032.00		NIST
Ip	2032.00		NIST
Ip	1993.00		NIST
Ip	2045.00		NIST
Ip	2047.00		NIST
Ip	2045.00		NIST
Ip	2049.00		NIST
Ip	2049.00		NIST
Ip	1993.00		NIST
Ip	2039.00		NIST
Ip	2040.00		NIST
Ip	2059.00		NIST
Ip	2037.00		NIST
Ip	1989.00		NIST
Ip	1993.00		NIST
Tboil	[486.00; 515.15]	K
Tboil	507.15	K	ChemSep v8.3 pure component data Compiled value
Tboil	508.20	K	NIST
Tboil	515.15 ± 0.40	K	NIST
Tboil	486.00 ± 2.00	K	NIST
Tc	694.00	K	ChemSep v8.3 pure component data Compiled value
Tfus	[255.15; 255.15]	K
Tfus	255.15	K	Jean-Claude Bradley Open Melting Point Dataset (2014, CC0) Compiled value
Tfus	255.15	K	ChemSep v8.3 pure component data Compiled value
Ttriple	255.15	K	ChemSep v8.3 pure component data Compiled value
UQi	4.94		ChemSep v8.3 pure component data Compiled value
URi	6.04		ChemSep v8.3 pure component data Compiled value
Vc	0.440	m3/kmol	ChemSep v8.3 pure component data Compiled value
Zc	0.2620000		ChemSep v8.3 pure component data Compiled value

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,liquid	280.74	J/mol×K	298.15	NIST
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

Property	Value	Unit	Pressure (kPa)	Source
Tboilr	392.20	K	1.60	NIST

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[143.81; 445.75]	J/mol×K	[255.00; 1500.00]	ChemSep v8.3 pure component data Compiled value
Equation			Y = A + exp(B/T + C + D·T + E·T²) Y is Cp,gas in J/mol×K, T in K
Coefficient A			7.00000e+01
Coefficient B			-5.00000e+02
Coefficient C			6.26224e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Temperature range, min.			255.00
Temperature range, max.			1500.00
Cp,gas	143.81	J/mol×K	255.00	Calculated Property
Cp,gas	217.09	J/mol×K	393.33	Calculated Property
Cp,gas	274.75	J/mol×K	531.67	Calculated Property
Cp,gas	318.63	J/mol×K	670.00	Calculated Property
Cp,gas	352.50	J/mol×K	808.33	Calculated Property
Cp,gas	379.23	J/mol×K	946.67	Calculated Property
Cp,gas	400.77	J/mol×K	1085.00	Calculated Property
Cp,gas	418.46	J/mol×K	1223.33	Calculated Property
Cp,gas	433.23	J/mol×K	1361.67	Calculated Property
Cp,gas	445.75	J/mol×K	1500.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
Cp,liquid	[251.64; 583.08]	J/mol×K	[255.15; 508.15]	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			2.89110e+02
Coefficient B			-8.78400e-01
Coefficient C			2.86710e-03
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Temperature range, min.			255.15
Temperature range, max.			508.15
Cp,liquid	251.64	J/mol×K	255.15	Calculated Property
Cp,liquid	270.34	J/mol×K	283.26	Calculated Property
Cp,liquid	293.57	J/mol×K	311.37	Calculated Property
Cp,liquid	321.34	J/mol×K	339.48	Calculated Property
Cp,liquid	353.63	J/mol×K	367.59	Calculated Property
Cp,liquid	390.46	J/mol×K	395.71	Calculated Property
Cp,liquid	431.82	J/mol×K	423.82	Calculated Property
Cp,liquid	477.71	J/mol×K	451.93	Calculated Property
Cp,liquid	528.13	J/mol×K	480.04	Calculated Property
Cp,liquid	583.08	J/mol×K	508.15	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0885691; 0.0002275]	Pa×s	[255.15; 508.15]	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			-1.70600e+01
Coefficient B			3.19190e+03
Coefficient C			3.83650e-01
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Temperature range, min.			255.15
Temperature range, max.			508.15
η	0.0885691	Pa×s	255.15	Calculated Property
η	0.0266393	Pa×s	283.26	Calculated Property
η	0.0099878	Pa×s	311.37	Calculated Property
η	0.0044179	Pa×s	339.48	Calculated Property
η	0.0022193	Pa×s	367.59	Calculated Property
η	0.0012319	Pa×s	395.71	Calculated Property
η	0.0007407	Pa×s	423.82	Calculated Property
η	0.0004752	Pa×s	451.93	Calculated Property
η	0.0003216	Pa×s	480.04	Calculated Property
η	0.0002275	Pa×s	508.15	Calculated Property

Property	Value	Unit	Temperature (K)	Source
ΔvapH	[69.24; 0.00]	kJ/mol	[255.15; 694.00]	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			7.89170e+01
Coefficient B			2.85360e-01
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Critical temperature, Tc (K)			6.94000e+02
Temperature range, min.			255.15
Temperature range, max.			694.00
ΔvapH	69.24	kJ/mol	255.15	Calculated Property
ΔvapH	66.95	kJ/mol	303.91	Calculated Property
ΔvapH	64.45	kJ/mol	352.67	Calculated Property
ΔvapH	61.68	kJ/mol	401.43	Calculated Property
ΔvapH	58.55	kJ/mol	450.19	Calculated Property
ΔvapH	54.94	kJ/mol	498.96	Calculated Property
ΔvapH	50.61	kJ/mol	547.72	Calculated Property
ΔvapH	45.08	kJ/mol	596.48	Calculated Property
ΔvapH	36.99	kJ/mol	645.24	Calculated Property
ΔvapH	0.00	kJ/mol	694.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
Pvap	[3.04e-05; 3414.40]	kPa	[255.00; 694.00]	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			5.31272e+01
Coefficient B			-9.38600e+03
Coefficient C			-4.82200e+00
Coefficient D			7.23260e-19
Coefficient E			6.00000e+00
Temperature range, min.			255.00
Temperature range, max.			694.00
Pvap	3.04e-05	kPa	255.00	Calculated Property
Pvap	4.83e-03	kPa	303.78	Calculated Property
Pvap	0.17	kPa	352.56	Calculated Property
Pvap	2.31	kPa	401.33	Calculated Property
Pvap	16.79	kPa	450.11	Calculated Property
Pvap	78.92	kPa	498.89	Calculated Property
Pvap	271.15	kPa	547.67	Calculated Property
Pvap	739.43	kPa	596.44	Calculated Property
Pvap	1696.15	kPa	645.22	Calculated Property
Pvap	3414.40	kPa	694.00	Calculated Property
Pvap	[0.13; 100.23]	kPa	[347.80; 508.00]	NIST
Equation			ln(Y) = A + B/(T + C) Y is Pvap in kPa, T in K
Coefficient A			1.72366e+01
Coefficient B			-5.88153e+03
Coefficient C			-4.22900e+01
Reference			Stull, 1947
Comment			Coefficents calculated by NIST from author's data.
Temperature range, min.			347.80
Temperature range, max.			508.00
Pvap	0.13	kPa	347.80	Calculated Property
Pvap	0.38	kPa	365.60	Calculated Property
Pvap	0.99	kPa	383.40	Calculated Property
Pvap	2.34	kPa	401.20	Calculated Property
Pvap	5.07	kPa	419.00	Calculated Property
Pvap	10.26	kPa	436.80	Calculated Property
Pvap	19.53	kPa	454.60	Calculated Property
Pvap	35.24	kPa	472.40	Calculated Property
Pvap	60.68	kPa	490.20	Calculated Property
Pvap	100.23	kPa	508.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
ρl	[1029.75; 309.46]	kg/m3	[255.15; 694.00]	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			7.85985e+01
Coefficient B			2.53990e-01
Coefficient C			6.94000e+02
Coefficient D			2.85710e-01
Temperature range, min.			255.15
Temperature range, max.			694.00
ρl	1029.75	kg/m3	255.15	Calculated Property
ρl	989.59	kg/m3	303.91	Calculated Property
ρl	947.45	kg/m3	352.67	Calculated Property
ρl	902.85	kg/m3	401.43	Calculated Property
ρl	855.09	kg/m3	450.19	Calculated Property
ρl	803.06	kg/m3	498.96	Calculated Property
ρl	744.85	kg/m3	547.72	Calculated Property
ρl	676.62	kg/m3	596.48	Calculated Property
ρl	587.90	kg/m3	645.24	Calculated Property
ρl	309.46	kg/m3	694.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
γ	[0.05; 0.00]	N/m	[255.15; 694.00]	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			8.33390e-02
Coefficient B			1.23620e+00
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Critical temperature, Tc (K)			6.94000e+02
Temperature range, min.			255.15
Temperature range, max.			694.00
γ	0.05	N/m	255.15	Calculated Property
γ	0.04	N/m	303.91	Calculated Property
γ	0.03	N/m	352.67	Calculated Property
γ	0.03	N/m	401.43	Calculated Property
γ	0.02	N/m	450.19	Calculated Property
γ	0.02	N/m	498.96	Calculated Property
γ	0.01	N/m	547.72	Calculated Property
γ	0.01	N/m	596.48	Calculated Property
γ	0.00	N/m	645.24	Calculated Property
γ	0.00	N/m	694.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
λgas	[0.02; 0.06]	W/m×K	[508.15; 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			1.63050e-03
Coefficient B			6.37580e-01
Coefficient C			8.51230e+02
Coefficient D			2.78970e+05
Temperature range, min.			508.15
Temperature range, max.			1000.00
λgas	0.02	W/m×K	508.15	Calculated Property
λgas	0.03	W/m×K	562.80	Calculated Property
λgas	0.03	W/m×K	617.45	Calculated Property
λgas	0.04	W/m×K	672.10	Calculated Property
λgas	0.04	W/m×K	726.75	Calculated Property
λgas	0.04	W/m×K	781.40	Calculated Property
λgas	0.05	W/m×K	836.05	Calculated Property
λgas	0.05	W/m×K	890.70	Calculated Property
λgas	0.06	W/m×K	945.35	Calculated Property
λgas	0.06	W/m×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
λliquid	[0.18; 0.11]	W/m×K	[255.15; 508.15]	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			2.38730e-01
Coefficient B			-2.48410e-04
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Temperature range, min.			255.15
Temperature range, max.			508.15
λliquid	0.18	W/m×K	255.15	Calculated Property
λliquid	0.17	W/m×K	283.26	Calculated Property
λliquid	0.16	W/m×K	311.37	Calculated Property
λliquid	0.15	W/m×K	339.48	Calculated Property
λliquid	0.15	W/m×K	367.59	Calculated Property
λliquid	0.14	W/m×K	395.71	Calculated Property
λliquid	0.13	W/m×K	423.82	Calculated Property
λliquid	0.13	W/m×K	451.93	Calculated Property
λliquid	0.12	W/m×K	480.04	Calculated Property
λliquid	0.11	W/m×K	508.15	Calculated Property

Similar Compounds

Find more compounds similar to 3-Phenylpropanol.

Mixtures

• 3-Phenylpropanol + Carbonic acid, dimethyl ester
• Diethyl carbonate + 3-Phenylpropanol
• 3-Phenylpropanol + 1,3-Dioxolan-2-one, 4-methyl-
• 3-Phenylpropanol + Anisole
• 3-Phenylpropanol + Benzene, ethoxy-
• 3-Phenylpropanol + Dimethyl Sulfoxide
• 3-Phenylpropanol + Water
• 3-Phenylpropanol + Water + Tetradonium Bromide

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)
• 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
• 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

Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more. Take the time to validate and double check the source of the data.
Outlier This icon means that the value is more than 2 standard deviations away from the property mean.
Calculated This icon marks a calculated value or equation: a prediction, not a measurement.
Compiled This icon marks a compiled value or equation: taken from a data compilation such as ChemSep, not from an original measurement report.
These property values are available through the Cheméo API. A free account gives you an access key.