Chemical Properties of Formamide, N-phenyl- (CAS 103-70-8)

InChI

InChI=1S/C7H7NO/c9-6-8-7-4-2-1-3-5-7/h1-6H,(H,8,9)

InChI Key

DYDNPESBYVVLBO-UHFFFAOYSA-N

Formula

C7H7NO

SMILES

O=CNc1ccccc1

Molecular Weight¹

121.14

CAS

103-70-8

Other Names

• Aniline, N-formyl-
• CARBANILALDEHYDE
• FORMAMIDOBENZENE
• Formanilide
• Formylaniline
• N-Formylaniline
• N-PHENYLFORMAMIDE
• Phenyl formamide

• 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_subH : Enthalpy of sublimation at a given temperature (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).
• P_vap : Vapor pressure (kPa).
• I_np : Non-polar retention indices.
• T_boil : Normal Boiling Point Temperature (K).
• T_boilr : Boiling point at reduced pressure (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°	110.34	kJ/mol	Joback Calculated Property
ΔfH°gas	16.61	kJ/mol	Joback Calculated Property
ΔfusH°	15.31	kJ/mol	Joback Calculated Property
ΔvapH°	46.61	kJ/mol	Joback Calculated Property
IE	8.60	eV	NIST
log10WS	-0.68		Aq. Sol...
logPoct/wat	1.255		Crippen Calculated Property
McVol	97.280	ml/mol	McGowan Calculated Property
Pc	4615.13	kPa	Joback Calculated Property
Inp	[1210.00; 1223.00]
Inp	1221.00		NIST
Inp	1223.00		NIST
Inp	1220.00		NIST
Inp	Outlier 1210.00		NIST
Inp	1220.00		NIST
Inp	1221.00		NIST
Tboil	485.07	K	Joback Calculated Property
Tc	705.71	K	Joback Calculated Property
Tfus	319.82	K	Aq. Sol...
Vc	0.371	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[194.52; 248.09]	J/mol×K	[485.07; 705.71]
Cp,gas	194.52	J/mol×K	485.07	Joback Calculated Property
Cp,gas	205.12	J/mol×K	521.84	Joback Calculated Property
Cp,gas	215.02	J/mol×K	558.62	Joback Calculated Property
Cp,gas	224.23	J/mol×K	595.39	Joback Calculated Property
Cp,gas	232.79	J/mol×K	632.16	Joback Calculated Property
Cp,gas	240.73	J/mol×K	668.94	Joback Calculated Property
Cp,gas	248.09	J/mol×K	705.71	Joback Calculated Property
ΔsubH	77.80	kJ/mol	308.00	NIST

Pressure Dependent Properties

Correlations

Property	Value	Unit	Temperature (K)	Source
Pvap	[1.33; 202.62]	kPa	[411.83; 517.44]	The Yaw...
Equation			ln(Pvp) = A + B/(T + C)
Coefficient A			2.08769e+01
Coefficient B			-6.73733e+03
Coefficient C			-8.46050e+01
Temperature range, min.			411.83
Temperature range, max.			517.44
Pvap	1.33	kPa	411.83	Calculated Property
Pvap	2.72	kPa	423.56	Calculated Property
Pvap	5.29	kPa	435.30	Calculated Property
Pvap	9.85	kPa	447.03	Calculated Property
Pvap	17.65	kPa	458.77	Calculated Property
Pvap	30.51	kPa	470.50	Calculated Property
Pvap	51.07	kPa	482.24	Calculated Property
Pvap	83.01	kPa	493.97	Calculated Property
Pvap	131.31	kPa	505.71	Calculated Property
Pvap	202.62	kPa	517.44	Calculated Property

Similar Compounds

Find more compounds similar to Formamide, N-phenyl-.

Sources

• Crippen Method
• Joback Method
• KDB
• Aqueous Solubility Prediction Method
• McGowan Method
• NIST Webbook
• The Yaws Handbook of Vapor Pressure

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Outlier This icon means that the value is more than 2 standard deviations away from the property mean.