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

• ω : Acentric Factor.
• 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).
• 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.
• 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
ω	0.7221		Relay (1.0) Calculated Property
ΔfG°	114.26	kJ/mol	Joback Calculated Property
ΔfH°gas	-162.16	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	29.04	kJ/mol	Joback Calculated Property
ΔvapH°	90.14	kJ/mol	Relay (1.0) Calculated Property
IE	8.31	eV	Relay (1.0) Calculated Property
log10WS	-3.76		Relay (1.0) 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	583.25	K	Relay (1.0) Calculated Property
Tc	787.17	K	Relay (1.0) Calculated Property
Tfus	295.27	K	Relay (1.0) Calculated Property
Vc	0.658	m3/kmol	Relay (1.0) 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

• Cheméo Relay (1.0)
• Crippen Method
• Crippen Method
• Joback 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.