Chemical Properties of (E)-1-Phenyl-1-butene (CAS 1005-64-7)

InChI

InChI=1S/C10H12/c1-2-3-7-10-8-5-4-6-9-10/h3-9H,2H2,1H3/b7-3+

InChI Key

MPMBRWOOISTHJV-XVNBXDOJSA-N

Formula

C10H12

SMILES

CCC=Cc1ccccc1

Molecular Weight¹

132.20

CAS

1005-64-7

Other Names

• (Z)-1-PHENYL-1-BUTENE
• 1-phenyl-(E)-1-butene
• Benzene, 1-butenyl-, (E)-
• TRANS-1-PHENYL-1-BUTENE

• 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_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).
• I_np : Non-polar retention indices.
• I : 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	103.88	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	15.90	kJ/mol	Joback Calculated Property
ΔvapH°	49.43	kJ/mol	Relay (1.0) Calculated Property
IE	[8.00; 8.30]	eV
IE	8.00	eV	NIST
IE	8.30	eV	NIST
log10WS	-3.60		Relay (1.0) Calculated Property
logPoct/wat	3.110		Crippen Calculated Property
McVol	123.700	ml/mol	McGowan Calculated Property
Inp	[1105.00; 1120.00]
Inp	1120.00		NIST
Inp	1105.00		NIST
Inp	1120.00		NIST
I	[1479.00; 1479.00]
I	1479.00		NIST
I	1479.00		NIST
Tboil	[470.25; 473.15]	K
Tboil	471.90	K	NIST
Tboil	473.15 ± 2.00	K	NIST
Tboil	471.85 ± 0.50	K	NIST
Tboil	470.25 ± 1.00	K	NIST
Tfus	230.05 ± 0.30	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
Cp,gas	[240.23; 315.74]	J/mol×K	[459.24; 674.27]
Cp,gas	240.23	J/mol×K	459.24	Joback Calculated Property
Cp,gas	255.00	J/mol×K	495.08	Joback Calculated Property
Cp,gas	268.84	J/mol×K	530.92	Joback Calculated Property
Cp,gas	281.77	J/mol×K	566.76	Joback Calculated Property
Cp,gas	293.87	J/mol×K	602.60	Joback Calculated Property
Cp,gas	305.18	J/mol×K	638.44	Joback Calculated Property
Cp,gas	315.74	J/mol×K	674.27	Joback Calculated Property
η	[0.0001897; 0.0034135]	Pa×s	[223.80; 459.24]
η	0.0034135	Pa×s	223.80	Joback Calculated Property
η	0.0014722	Pa×s	263.04	Joback Calculated Property
η	0.0007898	Pa×s	302.28	Joback Calculated Property
η	0.0004889	Pa×s	341.52	Joback Calculated Property
η	0.0003341	Pa×s	380.76	Joback Calculated Property
η	0.0002452	Pa×s	420.00	Joback Calculated Property
η	0.0001897	Pa×s	459.24	Joback Calculated Property

Similar Compounds

Find more compounds similar to (E)-1-Phenyl-1-butene.

Sources

• 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
• KDB
• 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.
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