Chemical Properties of 2-Benzylidene-1-heptanol (CAS 101-85-9)

InChI

InChI=1S/C14H20O/c1-2-3-5-10-14(12-15)11-13-8-6-4-7-9-13/h4,6-9,11,15H,2-3,5,10,12H2,1H3/b14-11+

InChI Key

LIPHCKNQPJXUQF-SDNWHVSQSA-N

Formula

C14H20O

SMILES

CCCCCC(=Cc1ccccc1)CO

Molecular Weight¹

204.31

CAS

101-85-9

Other Names

• 1-Heptanol, 2-(phenylmethylene)-
• 1-Heptanol, 2-benzylidene-
• «alpha»-Amylcinnamic alcohol
• «alpha»-Amylcinnamyl alcohol
• 2-Amyl-3-phenyl-2-propen-1-ol
• Buxinol
• 2-Pentyl-3-phenyl-2-propen-1-ol
• Amyl cinnamyl alcohol
• Amyl cinnamic alcohol
• 2-pentyl-3-phenylprop-2-en-1-ol

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• 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).
• 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.
• 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°	114.26	kJ/mol	Joback Calculated Property
ΔfH°gas	-140.56	kJ/mol	Joback Calculated Property
ΔfusH°	29.04	kJ/mol	Joback Calculated Property
ΔvapH°	65.75	kJ/mol	Joback Calculated Property
log10WS	-4.07		Crippen Calculated Property
logPoct/wat	3.643		Crippen Calculated Property
McVol	185.930	ml/mol	McGowan Calculated Property
Pc	2306.95	kPa	Joback Calculated Property
Inp	[1674.00; 1684.00]
Inp	1675.00		NIST
Inp	1674.00		NIST
Inp	1674.00		NIST
Inp	1675.00		NIST
Inp	1677.00		NIST
Inp	1679.00		NIST
Inp	Outlier 1684.00		NIST
Inp	1675.00		NIST
Inp	1679.00		NIST
Tboil	642.62	K	Joback Calculated Property
Tc	836.25	K	Joback Calculated Property
Tfus	315.74	K	Joback Calculated Property
Vc	0.712	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[486.74; 563.23]	J/mol×K	[642.62; 836.25]
Cp,gas	486.74	J/mol×K	642.62	Joback Calculated Property
Cp,gas	501.41	J/mol×K	674.89	Joback Calculated Property
Cp,gas	515.24	J/mol×K	707.16	Joback Calculated Property
Cp,gas	528.29	J/mol×K	739.44	Joback Calculated Property
Cp,gas	540.61	J/mol×K	771.71	Joback Calculated Property
Cp,gas	552.24	J/mol×K	803.98	Joback Calculated Property
Cp,gas	563.23	J/mol×K	836.25	Joback Calculated Property

Similar Compounds

Find more compounds similar to 2-Benzylidene-1-heptanol.

Sources

• Crippen Method
• Crippen Method
• Joback 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.