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

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

• 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_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_c : Critical Pressure (kPa).
• I_np : Non-polar retention indices.
• I : Polar retention indices.
• T_boil : Normal Boiling Point Temperature (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
ΔfG°	80.71	kJ/mol	Joback Calculated Property
ΔfH°gas	-27.57	kJ/mol	Joback Calculated Property
ΔfusH°	17.40	kJ/mol	Joback Calculated Property
ΔvapH°	54.54	kJ/mol	Joback Calculated Property
IE	8.10 ± 0.20	eV	NIST
log10WS	-1.98		Crippen Calculated Property
logPoct/wat	1.692		Crippen Calculated Property
McVol	115.480	ml/mol	McGowan Calculated Property
Pc	3872.29	kPa	Joback 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	1309.00		NIST
Inp	1272.00		NIST
Inp	1312.00		NIST
Inp	1269.90		NIST
Inp	1330.00		NIST
Inp	1331.00		NIST
Inp	1280.00		NIST
Inp	1300.00		NIST
I	[2238.00; 2307.00]
I	2300.00		NIST
I	2286.00		NIST
I	2306.00		NIST
I	2300.00		NIST
I	2303.00		NIST
I	2294.00		NIST
I	2252.00		NIST
I	2266.00		NIST
I	2274.00		NIST
I	2252.00		NIST
I	2263.00		NIST
I	2251.00		NIST
I	Outlier 2238.00		NIST
I	2294.00		NIST
I	2269.00		NIST
I	2264.00		NIST
I	2304.00		NIST
I	2302.00		NIST
I	2289.00		NIST
I	2299.00		NIST
I	2289.00		NIST
I	2307.00		NIST
I	2269.00		NIST
I	2299.00		NIST
I	2300.00		NIST
I	2286.00		NIST
I	2252.00		NIST
I	2251.00		NIST
I	2294.00		NIST
Tboil	[523.20; 530.65]	K
Tboil	523.20	K	NIST
Tboil	530.65 ± 1.50	K	NIST
Tc	732.08	K	Joback Calculated Property
Tfus	[307.85; 308.00]	K
Tfus	308.00 ± 1.00	K	NIST
Tfus	307.85 ± 1.00	K	NIST
Vc	0.430	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[248.22; 304.90]	J/mol×K	[528.34; 732.08]
Cp,gas	248.22	J/mol×K	528.34	Joback Calculated Property
Cp,gas	259.32	J/mol×K	562.30	Joback Calculated Property
Cp,gas	269.69	J/mol×K	596.25	Joback Calculated Property
Cp,gas	279.40	J/mol×K	630.21	Joback Calculated Property
Cp,gas	288.47	J/mol×K	664.17	Joback Calculated Property
Cp,gas	296.96	J/mol×K	698.12	Joback Calculated Property
Cp,gas	304.90	J/mol×K	732.08	Joback Calculated Property
η	[0.0001035; 0.0169277]	Pa×s	[273.35; 528.34]
η	0.0169277	Pa×s	273.35	Joback Calculated Property
η	0.0040869	Pa×s	315.85	Joback Calculated Property
η	0.0013823	Pa×s	358.35	Joback Calculated Property
η	0.0005883	Pa×s	400.85	Joback Calculated Property
η	0.0002950	Pa×s	443.34	Joback Calculated Property
η	0.0001669	Pa×s	485.84	Joback Calculated Property
η	0.0001035	Pa×s	528.34	Joback Calculated Property
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

Similar Compounds

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

Sources

• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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