Chemical Properties of (Z)-1-Phenylpropene (CAS 766-90-5)

InChI

InChI=1S/C9H10/c1-2-6-9-7-4-3-5-8-9/h2-8H,1H3/b6-2-

InChI Key

QROGIFZRVHSFLM-KXFIGUGUSA-N

Formula

C9H10

SMILES

CC=Cc1ccccc1

Molecular Weight¹

118.18

CAS

766-90-5

Other Names

• (Z)-1-Propenylbenzene
• 1-Phenyl-1-propene, cis-
• Benzene, (1Z)-1-propenyl-
• Benzene, 1-propenyl-, (Z)-
• Benzene, propen-1-yl-, (Z)-
• Benzene, propenyl-, (Z)-
• cis-1-Phenyl-1-propene
• cis-1-Phenylpropene
• cis-1-Propenylbenzene
• cis-Propenylbenzene
• cis-«beta»-Methylstyrene

• ω : Acentric Factor.
• PAff : Proton affinity (kJ/mol).
• BasG : Gas basicity (kJ/mol).
• Δ_cH°_gas : Standard gas enthalpy of combustion (kJ/mol).
• 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_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).
• P_vap : Vapor 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).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ω	0.2911		Relay (1.0) Calculated Property
PAff	836.40	kJ/mol	NIST
BasG	807.50	kJ/mol	NIST
ΔcH°gas	-5092.14	kJ/mol	NIST
ΔfG°	217.53	kJ/mol	Joback Calculated Property
ΔfH°gas	156.18	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	13.31	kJ/mol	Joback Calculated Property
ΔvapH°	48.01	kJ/mol	Relay (1.0) Calculated Property
IE	[8.15; 8.48]	eV
IE	8.15	eV	NIST
IE	8.15	eV	NIST
IE	8.45	eV	NIST
IE	8.48	eV	NIST
IE	8.28	eV	NIST
log10WS	-3.00		Relay (1.0) Calculated Property
logPoct/wat	2.720		Crippen Calculated Property
McVol	109.610	ml/mol	McGowan Calculated Property
Pc	3464.28	kPa	Joback Calculated Property
Inp	[155.00; 984.00]
Inp	973.00		NIST
Inp	973.00		NIST
Inp	984.00		NIST
Inp	975.30		NIST
Inp	975.00		NIST
Inp	155.00		NIST
Inp	973.00		NIST
Inp	155.00		NIST
Inp	975.00		NIST
I	[1324.00; 1324.30]
I	1324.30		NIST
I	1324.00		NIST
I	1324.00		NIST
Tboil	[440.58; 441.65]	K
Tboil	440.58 ± 0.30	K	NIST
Tboil	441.65 ± 3.00	K	NIST
Tc	656.19	K	Relay (1.0) Calculated Property
Tfus	[203.40; 211.47]	K
Tfus	203.40 ± 1.00	K	NIST
Tfus	211.23 ± 0.20	K	NIST
Tfus	211.47 ± 0.15	K	NIST

Cheméo can also estimate Critical Volume for this compound, but it falls outside the models' validated range, so it is not shown here. Open the prediction tool to compute it on demand.

Temperature Dependent Properties

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[125.15; 334.54]	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			-5.33800e+01
Coefficient B			7.99920e-01
Coefficient C			-5.80800e-04
Coefficient D			1.68800e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	125.15	J/mol×K	273.00	Calculated Property
Cp,gas	164.40	J/mol×K	353.78	Calculated Property
Cp,gas	198.40	J/mol×K	434.56	Calculated Property
Cp,gas	227.70	J/mol×K	515.33	Calculated Property
Cp,gas	252.83	J/mol×K	596.11	Calculated Property
Cp,gas	274.32	J/mol×K	676.89	Calculated Property
Cp,gas	292.70	J/mol×K	757.67	Calculated Property
Cp,gas	308.51	J/mol×K	838.44	Calculated Property
Cp,gas	322.28	J/mol×K	919.22	Calculated Property
Cp,gas	334.54	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0035655; 0.0001696]	Pa×s	[208.70; 458.08]	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			-1.12308e+01
Coefficient B			1.16754e+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.			208.70
Temperature range, max.			458.08
η	0.0035655	Pa×s	208.70	Calculated Property
η	0.0018508	Pa×s	236.41	Calculated Property
η	0.0011024	Pa×s	264.12	Calculated Property
η	0.0007245	Pa×s	291.83	Calculated Property
η	0.0005121	Pa×s	319.54	Calculated Property
η	0.0003826	Pa×s	347.25	Calculated Property
η	0.0002984	Pa×s	374.96	Calculated Property
η	0.0002409	Pa×s	402.66	Calculated Property
η	0.0001998	Pa×s	430.37	Calculated Property
η	0.0001696	Pa×s	458.08	Calculated Property

Property	Value	Unit	Temperature (K)	Source
Pvap	[1.33; 202.65]	kPa	[329.54; 467.02]	The Yaws Handbook of Vapor Pressure
Equation			ln(Y) = A + B/(T + C) Y is Pvap in kPa, T in K
Coefficient A			1.56145e+01
Coefficient B			-4.32144e+03
Coefficient C			-4.75840e+01
Temperature range, min.			329.54
Temperature range, max.			467.02
Pvap	1.33	kPa	329.54	Calculated Property
Pvap	2.93	kPa	344.82	Calculated Property
Pvap	5.97	kPa	360.09	Calculated Property
Pvap	11.37	kPa	375.37	Calculated Property
Pvap	20.44	kPa	390.64	Calculated Property
Pvap	34.98	kPa	405.92	Calculated Property
Pvap	57.27	kPa	421.19	Calculated Property
Pvap	90.21	kPa	436.47	Calculated Property
Pvap	137.29	kPa	451.74	Calculated Property
Pvap	202.65	kPa	467.02	Calculated Property

Similar Compounds

Find more compounds similar to (Z)-1-Phenylpropene.

Sources

• Cheméo Relay (1.0)
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook
• The Yaws Handbook of Vapor Pressure

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