Chemical Properties of 2-Propen-1-ol, 3-phenyl- (CAS 104-54-1)

InChI

InChI=1S/C9H10O/c10-8-4-7-9-5-2-1-3-6-9/h1-7,10H,8H2

InChI Key

OOCCDEMITAIZTP-UHFFFAOYSA-N

Formula

C9H10O

SMILES

OCC=Cc1ccccc1

Molecular Weight¹

134.18

CAS

104-54-1

Other Names

• 1-Phenyl-1-propen-3-ol
• 1-Phenylprop-1-en-3-ol
• 3-Fenyl-2-propen-1-ol
• 3-Phenyl-2-propen-1-ol
• 3-Phenyl-2-propenol
• 3-Phenylallyl alcohol
• 3-phenylprop-2-en-1-ol
• Alkohol skoricovy
• Cinnamic alcohol
• Cinnamyl alcohol
• NSC 8775
• Phenyl-2-propen-1-ol
• Phenylallyl alcohol
• Styrone
• Styryl alcohol
• Styryl carbinol
• «gamma»-Phenylallyl alcohol

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• η : Dynamic viscosity (Pa×s).
• Δ_fH°_gas : Enthalpy of formation at standard conditions (kJ/mol).
• Δ_fusH° : Enthalpy of fusion at standard conditions (kJ/mol).
• Δ_fusH : Enthalpy of fusion at a given temperature (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_vap : Vapor pressure (kPa).
• I_np : Non-polar retention indices.
• I_p : Polar retention indices.
• T_boil : Normal Boiling Point Temperature (K).
• T_fus : Normal melting (fusion) point (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔfH°gas	-42.27	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	17.40	kJ/mol	Joback Calculated Property
ΔvapH°	77.21	kJ/mol	Relay (1.0) Calculated Property
IE	8.10 ± 0.20	eV	NIST
log10WS	-1.20		Relay (1.0) Calculated Property
logPoct/wat	1.692		Crippen Calculated Property
McVol	115.480	ml/mol	McGowan Calculated Property
Inp	[1265.00; 1342.00]
Inp	1272.00		NIST
Inp	1271.80		NIST
Inp	1300.00		NIST
Inp	1304.00		NIST
Inp	1312.00		NIST
Inp	1312.00		NIST
Inp	1277.00		NIST
Inp	1304.00		NIST
Inp	1268.20		NIST
Inp	1269.90		NIST
Inp	1269.90		NIST
Inp	1270.10		NIST
Inp	1265.00		NIST
Inp	1295.00		NIST
Inp	1309.00		NIST
Inp	1330.00		NIST
Inp	1327.00		NIST
Inp	1327.00		NIST
Inp	1329.00		NIST
Inp	1342.00		NIST
Inp	1331.00		NIST
Inp	1314.00		NIST
Inp	1309.00		NIST
Inp	1306.00		NIST
Inp	1268.00		NIST
Inp	1280.00		NIST
Inp	1300.00		NIST
Inp	1280.00		NIST
Inp	1306.00		NIST
Inp	1265.00		NIST
Inp	1312.00		NIST
Inp	1300.00		NIST
Inp	1275.00		NIST
Inp	1268.00		NIST
Inp	1300.00		NIST
Inp	1330.00		NIST
Inp	1331.00		NIST
Inp	1280.00		NIST
Inp	1300.00		NIST
Inp	1312.00		NIST
Inp	1272.00		NIST
Inp	1269.90		NIST
Inp	1309.00		NIST
Ip	[2238.00; 2307.00]
Ip	2300.00		NIST
Ip	2286.00		NIST
Ip	2306.00		NIST
Ip	2300.00		NIST
Ip	2303.00		NIST
Ip	2294.00		NIST
Ip	2252.00		NIST
Ip	2266.00		NIST
Ip	2274.00		NIST
Ip	2252.00		NIST
Ip	2263.00		NIST
Ip	2251.00		NIST
Ip	Outlier 2238.00		NIST
Ip	2294.00		NIST
Ip	2269.00		NIST
Ip	2264.00		NIST
Ip	2304.00		NIST
Ip	2302.00		NIST
Ip	2289.00		NIST
Ip	2299.00		NIST
Ip	2289.00		NIST
Ip	2307.00		NIST
Ip	2294.00		NIST
Ip	2269.00		NIST
Ip	2299.00		NIST
Ip	2300.00		NIST
Ip	2286.00		NIST
Ip	2252.00		NIST
Ip	2251.00		NIST
Tboil	[523.20; 530.65]	K
Tboil	523.20	K	NIST
Tboil	530.65 ± 1.50	K	NIST
Tfus	[307.15; 308.00]	K
Tfus	307.15	K	Jean-Claude Bradley Open Melting Point Dataset (2014, CC0) Compiled value
Tfus	308.00 ± 1.00	K	NIST
Tfus	307.85 ± 1.00	K	NIST

Cheméo can also estimate Critical Temperature, Critical Pressure, Critical Volume, Standard Gibbs free energy of formation, Acentric Factor for this compound, but they fall outside the models' validated range, so they are not shown here. Open the prediction tool to compute them on demand.

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
ΔfusH	[15.73; 15.73]	kJ/mol	[308.20; 308.20]
ΔfusH	15.73	kJ/mol	308.20	NIST
ΔfusH	15.73	kJ/mol	308.20	NIST
ΔvapH	[56.20; 79.80]	kJ/mol	[310.00; 448.00]
ΔvapH	68.10 ± 0.10	kJ/mol	310.00	NIST
ΔvapH	79.80	kJ/mol	319.00	NIST
ΔvapH	56.20	kJ/mol	448.00	NIST

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[137.65; 353.21]	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			-4.80890e+01
Coefficient B			8.33900e-01
Coefficient C			-6.11200e-04
Coefficient D			1.78600e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	137.65	J/mol×K	273.00	Calculated Property
Cp,gas	178.34	J/mol×K	353.78	Calculated Property
Cp,gas	213.52	J/mol×K	434.56	Calculated Property
Cp,gas	243.77	J/mol×K	515.33	Calculated Property
Cp,gas	269.65	J/mol×K	596.11	Calculated Property
Cp,gas	291.72	J/mol×K	676.89	Calculated Property
Cp,gas	310.55	J/mol×K	757.67	Calculated Property
Cp,gas	326.69	J/mol×K	838.44	Calculated Property
Cp,gas	340.73	J/mol×K	919.22	Calculated Property
Cp,gas	353.21	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0052115; 0.0001223]	Pa×s	[307.67; 512.65]	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			-1.46408e+01
Coefficient B			2.88713e+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.			307.67
Temperature range, max.			512.65
η	0.0052115	Pa×s	307.67	Calculated Property
η	0.0027294	Pa×s	330.44	Calculated Property
η	0.0015538	Pa×s	353.22	Calculated Property
η	0.0009470	Pa×s	375.99	Calculated Property
η	0.0006108	Pa×s	398.77	Calculated Property
η	0.0004131	Pa×s	421.55	Calculated Property
η	0.0002908	Pa×s	444.32	Calculated Property
η	0.0002118	Pa×s	467.10	Calculated Property
η	0.0001589	Pa×s	489.87	Calculated Property
η	0.0001223	Pa×s	512.65	Calculated Property

Property	Value	Unit	Temperature (K)	Source
Pvap	[0.13; 100.68]	kPa	[345.80; 523.00]	NIST
Equation			ln(Y) = A + B/(T + C) Y is Pvap in kPa, T in K
Coefficient A			1.61690e+01
Coefficient B			-5.62006e+03
Coefficient C			-3.67130e+01
Reference			Stull, 1947
Comment			Coefficents calculated by NIST from author's data.
Temperature range, min.			345.80
Temperature range, max.			523.00
Pvap	0.13	kPa	345.80	Calculated Property
Pvap	0.40	kPa	365.49	Calculated Property
Pvap	1.04	kPa	385.18	Calculated Property
Pvap	2.47	kPa	404.87	Calculated Property
Pvap	5.36	kPa	424.56	Calculated Property
Pvap	10.79	kPa	444.24	Calculated Property
Pvap	20.37	kPa	463.93	Calculated Property
Pvap	36.36	kPa	483.62	Calculated Property
Pvap	61.82	kPa	503.31	Calculated Property
Pvap	100.68	kPa	523.00	Calculated Property

Similar Compounds

Find more compounds similar to 2-Propen-1-ol, 3-phenyl-.

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)
• Cheméo Relay (1.0, beta) Beta: served but experimental, data-limited and below our cross-validation release bar; the Joback value is recommended where available.
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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